4,4-diphenyl-6-piperidin-1-ylheptan-3-one;hydrochloride

C24H32ClNO — CID 13330

IUPAC4,4-diphenyl-6-piperidin-1-ylheptan-3-one;hydrochloride
SMILESCCC(=O)C(CC(C)N1CCCCC1)(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C24H31NO.ClH/c1-3-23(26)24(21-13-7-4-8-14-21,22-15-9-5-10-16-22)19-20(2)25-17-11-6-12-18-25;/h4-5,7-10,13-16,20H,3,6,11-12,17-19H2,1-2H3;1H
InChIKeyDTXPDSQEMZRBBG-UHFFFAOYSA-N
MW385.98 g/mol
LogP5.64
Rot. Bonds7

About 4,4-diphenyl-6-piperidin-1-ylheptan-3-one;hydrochloride

4,4-diphenyl-6-piperidin-1-ylheptan-3-one;hydrochloride (PubChem CID 13330) has the molecular formula C24H32ClNO and a molecular weight of 385.98 g/mol. Its IUPAC name is 4,4-diphenyl-6-piperidin-1-ylheptan-3-one;hydrochloride.

Molecular Properties

Compound Name4,4-diphenyl-6-piperidin-1-ylheptan-3-one;hydrochloride
PubChem CID13330
Molecular FormulaC24H32ClNO
Molecular Weight385.98 g/mol
Exact Mass385.22
IUPAC Name4,4-diphenyl-6-piperidin-1-ylheptan-3-one;hydrochloride
SMILESCCC(=O)C(CC(C)N1CCCCC1)(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C24H31NO.ClH/c1-3-23(26)24(21-13-7-4-8-14-21,22-15-9-5-10-16-22)19-20(2)25-17-11-6-12-18-25;/h4-5,7-10,13-16,20H,3,6,11-12,17-19H2,1-2H3;1H
InChIKeyDTXPDSQEMZRBBG-UHFFFAOYSA-N
XLogP5.64
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.98
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4,4-diphenyl-6-piperidin-1-ylheptan-3-one;hydrochloride 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 4,4-diphenyl-6-piperidin-1-ylheptan-3-one;hydrochloride?
The IUPAC name of 4,4-diphenyl-6-piperidin-1-ylheptan-3-one;hydrochloride (CID 13330) is 4,4-diphenyl-6-piperidin-1-ylheptan-3-one;hydrochloride.
What is the SMILES notation for 4,4-diphenyl-6-piperidin-1-ylheptan-3-one;hydrochloride?
The canonical SMILES for 4,4-diphenyl-6-piperidin-1-ylheptan-3-one;hydrochloride is CCC(=O)C(CC(C)N1CCCCC1)(c1ccccc1)c1ccccc1.Cl.
What is the InChIKey of 4,4-diphenyl-6-piperidin-1-ylheptan-3-one;hydrochloride?
The InChIKey is DTXPDSQEMZRBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO.ClH/c1-3-23(26)24(21-13-7-4-8-14-21,22-15-9-5-10-16-22)19-20(2)25-17-11-6-12-18-25;/h4-5,7-10,13-16,20H,3,6,11-12,17-19H2,1-2H3;1H.
What are the key properties of 4,4-diphenyl-6-piperidin-1-ylheptan-3-one;hydrochloride?
4,4-diphenyl-6-piperidin-1-ylheptan-3-one;hydrochloride has a molecular weight of 385.98 g/mol, XLogP of 5.64, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-diphenyl-6-piperidin-1-ylheptan-3-one;hydrochloride is sourced from PubChem (CID 13330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).