(2S,4R)-1-[(5,7-dimethyl-1H-indol-4-yl)methyl]-N-methyl-2-phenylpiperidin-4-amine

C23H29N3 — CID 125493472

IUPAC(2S,4R)-1-[(5,7-dimethyl-1H-indol-4-yl)methyl]-N-methyl-2-phenylpiperidin-4-amine
SMILESCN[C@@H]1CCN(Cc2c(C)cc(C)c3[nH]ccc23)[C@H](c2ccccc2)C1
InChIInChI=1S/C23H29N3/c1-16-13-17(2)23-20(9-11-25-23)21(16)15-26-12-10-19(24-3)14-22(26)18-7-5-4-6-8-18/h4-9,11,13,19,22,24-25H,10,12,14-15H2,1-3H3/t19-,22+/m1/s1
InChIKeyWHSFJJAVNLAHGJ-KNQAVFIVSA-N
MW347.51 g/mol
LogP4.71
Rot. Bonds4

About (2S,4R)-1-[(5,7-dimethyl-1H-indol-4-yl)methyl]-N-methyl-2-phenylpiperidin-4-amine

(2S,4R)-1-[(5,7-dimethyl-1H-indol-4-yl)methyl]-N-methyl-2-phenylpiperidin-4-amine (PubChem CID 125493472) has the molecular formula C23H29N3 and a molecular weight of 347.51 g/mol. Its IUPAC name is (2S,4R)-1-[(5,7-dimethyl-1H-indol-4-yl)methyl]-N-methyl-2-phenylpiperidin-4-amine.

Molecular Properties

Compound Name(2S,4R)-1-[(5,7-dimethyl-1H-indol-4-yl)methyl]-N-methyl-2-phenylpiperidin-4-amine
PubChem CID125493472
Molecular FormulaC23H29N3
Molecular Weight347.51 g/mol
Exact Mass347.24
IUPAC Name(2S,4R)-1-[(5,7-dimethyl-1H-indol-4-yl)methyl]-N-methyl-2-phenylpiperidin-4-amine
SMILESCN[C@@H]1CCN(Cc2c(C)cc(C)c3[nH]ccc23)[C@H](c2ccccc2)C1
InChIInChI=1S/C23H29N3/c1-16-13-17(2)23-20(9-11-25-23)21(16)15-26-12-10-19(24-3)14-22(26)18-7-5-4-6-8-18/h4-9,11,13,19,22,24-25H,10,12,14-15H2,1-3H3/t19-,22+/m1/s1
InChIKeyWHSFJJAVNLAHGJ-KNQAVFIVSA-N
XLogP4.71
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.51
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S,4R)-1-[(5,7-dimethyl-1H-indol-4-yl)methyl]-N-methyl-2-phenylpiperidin-4-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-[(5,7-dimethyl-1H-indol-4-yl)methyl]-N-methyl-2-phenylpiperidin-4-amine?
The IUPAC name of (2S,4R)-1-[(5,7-dimethyl-1H-indol-4-yl)methyl]-N-methyl-2-phenylpiperidin-4-amine (CID 125493472) is (2S,4R)-1-[(5,7-dimethyl-1H-indol-4-yl)methyl]-N-methyl-2-phenylpiperidin-4-amine.
What is the SMILES notation for (2S,4R)-1-[(5,7-dimethyl-1H-indol-4-yl)methyl]-N-methyl-2-phenylpiperidin-4-amine?
The canonical SMILES for (2S,4R)-1-[(5,7-dimethyl-1H-indol-4-yl)methyl]-N-methyl-2-phenylpiperidin-4-amine is CN[C@@H]1CCN(Cc2c(C)cc(C)c3[nH]ccc23)[C@H](c2ccccc2)C1.
What is the InChIKey of (2S,4R)-1-[(5,7-dimethyl-1H-indol-4-yl)methyl]-N-methyl-2-phenylpiperidin-4-amine?
The InChIKey is WHSFJJAVNLAHGJ-KNQAVFIVSA-N. The full InChI is InChI=1S/C23H29N3/c1-16-13-17(2)23-20(9-11-25-23)21(16)15-26-12-10-19(24-3)14-22(26)18-7-5-4-6-8-18/h4-9,11,13,19,22,24-25H,10,12,14-15H2,1-3H3/t19-,22+/m1/s1.
What are the key properties of (2S,4R)-1-[(5,7-dimethyl-1H-indol-4-yl)methyl]-N-methyl-2-phenylpiperidin-4-amine?
(2S,4R)-1-[(5,7-dimethyl-1H-indol-4-yl)methyl]-N-methyl-2-phenylpiperidin-4-amine has a molecular weight of 347.51 g/mol, XLogP of 4.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-1-[(5,7-dimethyl-1H-indol-4-yl)methyl]-N-methyl-2-phenylpiperidin-4-amine is sourced from PubChem (CID 125493472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).