(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

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Related Compounds

N,5-dimethyl-3-piperidin-1-ylhexan-1-amine
CID 112517776
3-(4-chlorophenyl)-2-methyl-N-(2-piperidin-1-ylpropyl)propanamide
CID 110301735
N-[(4-chlorophenyl)methyl]-2-piperidin-1-ylpropan-1-amine
CID 54899450
3-(azepan-1-yl)-1-(4-chlorophenyl)-3-methylbutan-2-amine
CID 79051085
1-(4-chlorophenyl)-N-ethyl-3-methyl-3-piperidin-1-ylbutan-2-amine
CID 79052033
5-(4-chlorophenyl)-N,3-dimethylpentan-1-amine
CID 65304680
N-[2-(4-chlorophenyl)ethyl]-2-pyrrolidin-1-ylpropan-1-amine
CID 57374009
3-[4-(4-chlorophenyl)piperazin-1-yl]-N-methylbutan-1-amine
CID 62419651
5-[1-(4-chlorophenyl)propan-2-yl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 114081357
3-(4-bromophenyl)-2-piperidin-1-ylpropan-1-amine
CID 82094586
(2R)-3-(4-chlorophenyl)-2-(2-oxopiperidin-1-yl)propanal
CID 22860992
4-[3-(4-chlorophenyl)-2-piperazin-1-ylpropyl]-N,N-diethylaniline;dihydrochloride
CID 21448537

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).