Chemical Components in the PDB

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LDV : Summary

Code

LDV

One-letter code

X

Molecule name

3-[(4-methylpiperidin-1-yl)methyl]-1H-indole

Systematic names

ProgramVersionName
ACDLabs 12.01 3-[(4-methylpiperidin-1-yl)methyl]-1H-indole
OpenEye OEToolkits 2.0.6 3-[(4-methylpiperidin-1-yl)methyl]-1~{H}-indole

Formula

C15 H20 N2

Formal charge

0

Molecular weight

228.333 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 N1(CCC(CC1)C)Cc3c2c(cccc2)nc3
SMILES CACTVS 3.385 CC1CCN(CC1)Cc2c[nH]c3ccccc23
SMILES OpenEye OEToolkits 2.0.6 CC1CCN(CC1)Cc2c[nH]c3c2cccc3
Canonical SMILES CACTVS 3.385 CC1CCN(CC1)Cc2c[nH]c3ccccc23
Canonical SMILES OpenEye OEToolkits 2.0.6 CC1CCN(CC1)Cc2c[nH]c3c2cccc3

IUPAC InChI

InChI=1S/C15H20N2/c1-12-6-8-17(9-7-12)11-13-10-16-15-5-3-2-4-14(13)15/h2-5,10,12,16H,6-9,11H2,1H3

IUPAC InChI key

DGCGMYNLCDVYMB-UHFFFAOYSA-N
LDV

wwPDB Information

Atom count

37 (17 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2019-02-22

Last modified at

2019-05-03

Status

Released

Obsoleted

Not Assigned