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

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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).