1-[(4-methylphenyl)methyl]-3-piperidin-3-ylindole

C21H24N2 — CID 84612316

IUPAC1-[(4-methylphenyl)methyl]-3-piperidin-3-ylindole
SMILESCc1ccc(Cn2cc(C3CCCNC3)c3ccccc32)cc1
InChIInChI=1S/C21H24N2/c1-16-8-10-17(11-9-16)14-23-15-20(18-5-4-12-22-13-18)19-6-2-3-7-21(19)23/h2-3,6-11,15,18,22H,4-5,12-14H2,1H3
InChIKeyZMZUHMDMSWVEMK-UHFFFAOYSA-N
MW304.44 g/mol
LogP4.47
Rot. Bonds3

About 1-[(4-methylphenyl)methyl]-3-piperidin-3-ylindole

1-[(4-methylphenyl)methyl]-3-piperidin-3-ylindole (PubChem CID 84612316) has the molecular formula C21H24N2 and a molecular weight of 304.44 g/mol. Its IUPAC name is 1-[(4-methylphenyl)methyl]-3-piperidin-3-ylindole.

Molecular Properties

Compound Name1-[(4-methylphenyl)methyl]-3-piperidin-3-ylindole
PubChem CID84612316
Molecular FormulaC21H24N2
Molecular Weight304.44 g/mol
Exact Mass304.19
IUPAC Name1-[(4-methylphenyl)methyl]-3-piperidin-3-ylindole
SMILESCc1ccc(Cn2cc(C3CCCNC3)c3ccccc32)cc1
InChIInChI=1S/C21H24N2/c1-16-8-10-17(11-9-16)14-23-15-20(18-5-4-12-22-13-18)19-6-2-3-7-21(19)23/h2-3,6-11,15,18,22H,4-5,12-14H2,1H3
InChIKeyZMZUHMDMSWVEMK-UHFFFAOYSA-N
XLogP4.47
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(4-methylphenyl)methyl]-3-piperidin-3-ylindole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4-methylphenyl)methyl]-3-pyrrolidin-3-ylindole
CID 84612315
1-[[4-(2-piperidin-3-ylphenyl)phenyl]methyl]indole
CID 10248354
[4-[1-[(4-fluorophenyl)methyl]indol-3-yl]cyclohexyl]methanamine
CID 84612219
1-[(4-methylphenyl)methyl]indole-3-carbonitrile
CID 82086176
1-methyl-3-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]indole
CID 166376440
ethane;3-(2-methylphenyl)piperidine
CID 144655647
3-(2,4-dimethylphenyl)piperidine
CID 10535662
(3S)-3-(2,5-dimethylphenyl)piperidine
CID 92981749
3-(1-bromonaphthalen-2-yl)piperidine
CID 165357301
3-(1-azabicyclo[2.2.2]octan-3-yl)-1-benzylindole
CID 84612194
3-[1-[(4-propylphenyl)methyl]pyrrolidin-3-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]indole
CID 69367148
3-(3-methyl-2-phenylphenyl)piperidine
CID 143194831

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)methyl]-3-piperidin-3-ylindole?
The IUPAC name of 1-[(4-methylphenyl)methyl]-3-piperidin-3-ylindole (CID 84612316) is 1-[(4-methylphenyl)methyl]-3-piperidin-3-ylindole.
What is the SMILES notation for 1-[(4-methylphenyl)methyl]-3-piperidin-3-ylindole?
The canonical SMILES for 1-[(4-methylphenyl)methyl]-3-piperidin-3-ylindole is Cc1ccc(Cn2cc(C3CCCNC3)c3ccccc32)cc1.
What is the InChIKey of 1-[(4-methylphenyl)methyl]-3-piperidin-3-ylindole?
The InChIKey is ZMZUHMDMSWVEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2/c1-16-8-10-17(11-9-16)14-23-15-20(18-5-4-12-22-13-18)19-6-2-3-7-21(19)23/h2-3,6-11,15,18,22H,4-5,12-14H2,1H3.
What are the key properties of 1-[(4-methylphenyl)methyl]-3-piperidin-3-ylindole?
1-[(4-methylphenyl)methyl]-3-piperidin-3-ylindole has a molecular weight of 304.44 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)methyl]-3-piperidin-3-ylindole is sourced from PubChem (CID 84612316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).