1-[1-(4-chlorophenyl)propan-2-yl]piperidin-4-amine

C14H21ClN2 — CID 104973645

IUPAC1-[1-(4-chlorophenyl)propan-2-yl]piperidin-4-amine
SMILESCC(Cc1ccc(Cl)cc1)N1CCC(N)CC1
InChIInChI=1S/C14H21ClN2/c1-11(17-8-6-14(16)7-9-17)10-12-2-4-13(15)5-3-12/h2-5,11,14H,6-10,16H2,1H3
InChIKeyPPDSPWCCMHSVIE-UHFFFAOYSA-N
MW252.79 g/mol
LogP2.69
Rot. Bonds3

About 1-[1-(4-chlorophenyl)propan-2-yl]piperidin-4-amine

1-[1-(4-chlorophenyl)propan-2-yl]piperidin-4-amine (PubChem CID 104973645) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)propan-2-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)propan-2-yl]piperidin-4-amine
PubChem CID104973645
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name1-[1-(4-chlorophenyl)propan-2-yl]piperidin-4-amine
SMILESCC(Cc1ccc(Cl)cc1)N1CCC(N)CC1
InChIInChI=1S/C14H21ClN2/c1-11(17-8-6-14(16)7-9-17)10-12-2-4-13(15)5-3-12/h2-5,11,14H,6-10,16H2,1H3
InChIKeyPPDSPWCCMHSVIE-UHFFFAOYSA-N
XLogP2.69
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[1-(4-chlorophenyl)propan-2-yl]piperidin-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

Related Compounds

1-[1-(4-chlorophenyl)ethyl]piperidin-4-amine
CID 43130879
4-[2-[4-(4-chlorophenyl)piperazin-1-yl]propyl]aniline
CID 54215483
1-[1-(4-chlorophenyl)propyl]piperidin-4-amine;hydrochloride
CID 119908754
5-[1-(4-chlorophenyl)propan-2-yl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 114081357
2-[1-[1-(4-chlorophenyl)propan-2-yl]azetidin-3-yl]acetic acid
CID 114081581
1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-4-amine;hydrochloride
CID 119907556
1-[1-(4-chlorophenyl)ethyl]pyrrolidin-3-amine;hydrochloride
CID 119917726
1-[(2R)-1-phenylpropan-2-yl]piperidin-4-ol
CID 129494382
1-[(2S)-1-(4-fluorophenyl)propan-2-yl]piperidine-4-carboxamide
CID 40514699
4-[2-(4-amino-3-methylpiperidin-1-yl)propyl]phenol
CID 113323165
4-[(4-chlorophenyl)methyl]-1-(1-methylsulfanylethyl)piperidine
CID 126759959
(2S)-2-(4-aminopiperidin-1-yl)propan-1-ol
CID 130665255

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)propan-2-yl]piperidin-4-amine?
The IUPAC name of 1-[1-(4-chlorophenyl)propan-2-yl]piperidin-4-amine (CID 104973645) is 1-[1-(4-chlorophenyl)propan-2-yl]piperidin-4-amine.
What is the SMILES notation for 1-[1-(4-chlorophenyl)propan-2-yl]piperidin-4-amine?
The canonical SMILES for 1-[1-(4-chlorophenyl)propan-2-yl]piperidin-4-amine is CC(Cc1ccc(Cl)cc1)N1CCC(N)CC1.
What is the InChIKey of 1-[1-(4-chlorophenyl)propan-2-yl]piperidin-4-amine?
The InChIKey is PPDSPWCCMHSVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-11(17-8-6-14(16)7-9-17)10-12-2-4-13(15)5-3-12/h2-5,11,14H,6-10,16H2,1H3.
What are the key properties of 1-[1-(4-chlorophenyl)propan-2-yl]piperidin-4-amine?
1-[1-(4-chlorophenyl)propan-2-yl]piperidin-4-amine has a molecular weight of 252.79 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)propan-2-yl]piperidin-4-amine is sourced from PubChem (CID 104973645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).