5-[1-[(3-methylphenyl)methyl]piperidin-2-yl]-1H-indole

C21H24N2 — CID 174724025

IUPAC5-[1-[(3-methylphenyl)methyl]piperidin-2-yl]-1H-indole
SMILESCc1cccc(CN2CCCCC2c2ccc3[nH]ccc3c2)c1
InChIInChI=1S/C21H24N2/c1-16-5-4-6-17(13-16)15-23-12-3-2-7-21(23)19-8-9-20-18(14-19)10-11-22-20/h4-6,8-11,13-14,21-22H,2-3,7,12,15H2,1H3
InChIKeyRCHUCUYAJWXDEI-UHFFFAOYSA-N
MW304.44 g/mol
LogP5.20
Rot. Bonds3

About 5-[1-[(3-methylphenyl)methyl]piperidin-2-yl]-1H-indole

5-[1-[(3-methylphenyl)methyl]piperidin-2-yl]-1H-indole (PubChem CID 174724025) has the molecular formula C21H24N2 and a molecular weight of 304.44 g/mol. Its IUPAC name is 5-[1-[(3-methylphenyl)methyl]piperidin-2-yl]-1H-indole.

Molecular Properties

Compound Name5-[1-[(3-methylphenyl)methyl]piperidin-2-yl]-1H-indole
PubChem CID174724025
Molecular FormulaC21H24N2
Molecular Weight304.44 g/mol
Exact Mass304.19
IUPAC Name5-[1-[(3-methylphenyl)methyl]piperidin-2-yl]-1H-indole
SMILESCc1cccc(CN2CCCCC2c2ccc3[nH]ccc3c2)c1
InChIInChI=1S/C21H24N2/c1-16-5-4-6-17(13-16)15-23-12-3-2-7-21(23)19-8-9-20-18(14-19)10-11-22-20/h4-6,8-11,13-14,21-22H,2-3,7,12,15H2,1H3
InChIKeyRCHUCUYAJWXDEI-UHFFFAOYSA-N
XLogP5.20
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.44
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-[1-[(3-methylphenyl)methyl]piperidin-2-yl]-1H-benzimidazole
CID 151217647
5-[(2S)-1-methylpiperidin-2-yl]-1H-indole
CID 95732626
5-[(2R)-1-propan-2-ylpiperidin-2-yl]-1H-indole
CID 124501023
4-[(2R)-1-[(3-methylphenyl)methyl]piperidin-2-yl]pyrimidin-2-amine
CID 95845166
1-[(4-chlorophenyl)methyl]-2-(3-methylphenyl)pyrrolidine
CID 20895828
2-(1H-indol-5-yl)piperidine-1-carbaldehyde
CID 102544412
2-[(2R)-1-(1H-indol-5-ylmethyl)piperidin-2-yl]-N,N-dimethylethanamine
CID 95860953
5-(1-benzylpiperidin-2-yl)-3-methyl-1H-pyridine-2-thione
CID 102542680
3-methyl-5-[(2R)-1-[(3-methylphenyl)methyl]pyrrolidin-2-yl]-1,2-oxazole
CID 94415401
3-methyl-5-[5-[(2R)-1-[(3-methylphenyl)methyl]piperidin-2-yl]-1H-pyrazol-4-yl]-1,2-oxazole
CID 136763208
6-[[2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]methyl]-1H-indole
CID 110104329
6-[(2-pyrimidin-4-ylpiperidin-1-yl)methyl]-1H-indole
CID 127244845

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(3-methylphenyl)methyl]piperidin-2-yl]-1H-indole?
The IUPAC name of 5-[1-[(3-methylphenyl)methyl]piperidin-2-yl]-1H-indole (CID 174724025) is 5-[1-[(3-methylphenyl)methyl]piperidin-2-yl]-1H-indole.
What is the SMILES notation for 5-[1-[(3-methylphenyl)methyl]piperidin-2-yl]-1H-indole?
The canonical SMILES for 5-[1-[(3-methylphenyl)methyl]piperidin-2-yl]-1H-indole is Cc1cccc(CN2CCCCC2c2ccc3[nH]ccc3c2)c1.
What is the InChIKey of 5-[1-[(3-methylphenyl)methyl]piperidin-2-yl]-1H-indole?
The InChIKey is RCHUCUYAJWXDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2/c1-16-5-4-6-17(13-16)15-23-12-3-2-7-21(23)19-8-9-20-18(14-19)10-11-22-20/h4-6,8-11,13-14,21-22H,2-3,7,12,15H2,1H3.
What are the key properties of 5-[1-[(3-methylphenyl)methyl]piperidin-2-yl]-1H-indole?
5-[1-[(3-methylphenyl)methyl]piperidin-2-yl]-1H-indole has a molecular weight of 304.44 g/mol, XLogP of 5.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(3-methylphenyl)methyl]piperidin-2-yl]-1H-indole is sourced from PubChem (CID 174724025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).