(3S)-4-(4-chlorophenyl)-N-methyl-3-piperidin-1-ylbutan-1-amine

C16H25ClN2 — CID 164673614

IUPAC(3S)-4-(4-chlorophenyl)-N-methyl-3-piperidin-1-ylbutan-1-amine
SMILESCNCC[C@H](Cc1ccc(Cl)cc1)N1CCCCC1
InChIInChI=1S/C16H25ClN2/c1-18-10-9-16(19-11-3-2-4-12-19)13-14-5-7-15(17)8-6-14/h5-8,16,18H,2-4,9-13H2,1H3/t16-/m1/s1
InChIKeyPCMWJVMUFFLNAW-MRXNPFEDSA-N
MW280.84 g/mol
LogP3.35
Rot. Bonds6

About (3S)-4-(4-chlorophenyl)-N-methyl-3-piperidin-1-ylbutan-1-amine

(3S)-4-(4-chlorophenyl)-N-methyl-3-piperidin-1-ylbutan-1-amine (PubChem CID 164673614) has the molecular formula C16H25ClN2 and a molecular weight of 280.84 g/mol. Its IUPAC name is (3S)-4-(4-chlorophenyl)-N-methyl-3-piperidin-1-ylbutan-1-amine.

Molecular Properties

Compound Name(3S)-4-(4-chlorophenyl)-N-methyl-3-piperidin-1-ylbutan-1-amine
PubChem CID164673614
Molecular FormulaC16H25ClN2
Molecular Weight280.84 g/mol
Exact Mass280.17
IUPAC Name(3S)-4-(4-chlorophenyl)-N-methyl-3-piperidin-1-ylbutan-1-amine
SMILESCNCC[C@H](Cc1ccc(Cl)cc1)N1CCCCC1
InChIInChI=1S/C16H25ClN2/c1-18-10-9-16(19-11-3-2-4-12-19)13-14-5-7-15(17)8-6-14/h5-8,16,18H,2-4,9-13H2,1H3/t16-/m1/s1
InChIKeyPCMWJVMUFFLNAW-MRXNPFEDSA-N
XLogP3.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.84
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3S)-4-(4-chlorophenyl)-N-methyl-3-piperidin-1-ylbutan-1-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 (3S)-4-(4-chlorophenyl)-N-methyl-3-piperidin-1-ylbutan-1-amine?
The IUPAC name of (3S)-4-(4-chlorophenyl)-N-methyl-3-piperidin-1-ylbutan-1-amine (CID 164673614) is (3S)-4-(4-chlorophenyl)-N-methyl-3-piperidin-1-ylbutan-1-amine.
What is the SMILES notation for (3S)-4-(4-chlorophenyl)-N-methyl-3-piperidin-1-ylbutan-1-amine?
The canonical SMILES for (3S)-4-(4-chlorophenyl)-N-methyl-3-piperidin-1-ylbutan-1-amine is CNCC[C@H](Cc1ccc(Cl)cc1)N1CCCCC1.
What is the InChIKey of (3S)-4-(4-chlorophenyl)-N-methyl-3-piperidin-1-ylbutan-1-amine?
The InChIKey is PCMWJVMUFFLNAW-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H25ClN2/c1-18-10-9-16(19-11-3-2-4-12-19)13-14-5-7-15(17)8-6-14/h5-8,16,18H,2-4,9-13H2,1H3/t16-/m1/s1.
What are the key properties of (3S)-4-(4-chlorophenyl)-N-methyl-3-piperidin-1-ylbutan-1-amine?
(3S)-4-(4-chlorophenyl)-N-methyl-3-piperidin-1-ylbutan-1-amine has a molecular weight of 280.84 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-(4-chlorophenyl)-N-methyl-3-piperidin-1-ylbutan-1-amine is sourced from PubChem (CID 164673614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).