1-(4-chlorophenyl)-N-[1-(1-methylpiperidin-4-yl)ethyl]propan-2-amine

C17H27ClN2 — CID 43677582

IUPAC1-(4-chlorophenyl)-N-[1-(1-methylpiperidin-4-yl)ethyl]propan-2-amine
SMILESCC(Cc1ccc(Cl)cc1)NC(C)C1CCN(C)CC1
InChIInChI=1S/C17H27ClN2/c1-13(12-15-4-6-17(18)7-5-15)19-14(2)16-8-10-20(3)11-9-16/h4-7,13-14,16,19H,8-12H2,1-3H3
InChIKeyWXBHEQPHLPIRCU-UHFFFAOYSA-N
MW294.87 g/mol
LogP3.59
Rot. Bonds5

About 1-(4-chlorophenyl)-N-[1-(1-methylpiperidin-4-yl)ethyl]propan-2-amine

1-(4-chlorophenyl)-N-[1-(1-methylpiperidin-4-yl)ethyl]propan-2-amine (PubChem CID 43677582) has the molecular formula C17H27ClN2 and a molecular weight of 294.87 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[1-(1-methylpiperidin-4-yl)ethyl]propan-2-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[1-(1-methylpiperidin-4-yl)ethyl]propan-2-amine
PubChem CID43677582
Molecular FormulaC17H27ClN2
Molecular Weight294.87 g/mol
Exact Mass294.19
IUPAC Name1-(4-chlorophenyl)-N-[1-(1-methylpiperidin-4-yl)ethyl]propan-2-amine
SMILESCC(Cc1ccc(Cl)cc1)NC(C)C1CCN(C)CC1
InChIInChI=1S/C17H27ClN2/c1-13(12-15-4-6-17(18)7-5-15)19-14(2)16-8-10-20(3)11-9-16/h4-7,13-14,16,19H,8-12H2,1-3H3
InChIKeyWXBHEQPHLPIRCU-UHFFFAOYSA-N
XLogP3.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.87
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-chlorophenyl)-N-[1-(1-methylpiperidin-4-yl)ethyl]propan-2-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-(4-chlorophenyl)-N-(1-cyclobutylethyl)propan-2-amine
CID 103779090
N-[(3-chloro-4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine
CID 62539575
N-[(1S)-1-cyclopentylethyl]-1-(4-fluorophenyl)propan-2-amine
CID 104979804
N-[(1R)-1-(4-chlorophenyl)ethyl]-1-(1-propylpiperidin-4-yl)ethanamine
CID 81349354
1-phenyl-N-[1-(1-propylpiperidin-3-yl)ethyl]propan-2-amine
CID 63011582
N-[1-(1-methylpiperidin-4-yl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 54952865
N-[1-(1-methylpiperidin-4-yl)ethyl]hexan-2-amine
CID 62196752
N-[(4-ethylphenyl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine
CID 103779601
N-[1-(4-chlorophenyl)propan-2-yl]-4-propan-2-ylcyclohexan-1-amine
CID 63428446
N-[(4-chlorophenyl)methyl]-1-cyclopropylethanamine
CID 43183248
1-(4-chlorophenyl)-N-[1-(1-methylpiperidin-3-yl)ethyl]propan-1-amine
CID 43688616
N-[1-(4-chlorophenyl)propan-2-yl]cycloheptanamine
CID 43677619

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[1-(1-methylpiperidin-4-yl)ethyl]propan-2-amine?
The IUPAC name of 1-(4-chlorophenyl)-N-[1-(1-methylpiperidin-4-yl)ethyl]propan-2-amine (CID 43677582) is 1-(4-chlorophenyl)-N-[1-(1-methylpiperidin-4-yl)ethyl]propan-2-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[1-(1-methylpiperidin-4-yl)ethyl]propan-2-amine?
The canonical SMILES for 1-(4-chlorophenyl)-N-[1-(1-methylpiperidin-4-yl)ethyl]propan-2-amine is CC(Cc1ccc(Cl)cc1)NC(C)C1CCN(C)CC1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[1-(1-methylpiperidin-4-yl)ethyl]propan-2-amine?
The InChIKey is WXBHEQPHLPIRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2/c1-13(12-15-4-6-17(18)7-5-15)19-14(2)16-8-10-20(3)11-9-16/h4-7,13-14,16,19H,8-12H2,1-3H3.
What are the key properties of 1-(4-chlorophenyl)-N-[1-(1-methylpiperidin-4-yl)ethyl]propan-2-amine?
1-(4-chlorophenyl)-N-[1-(1-methylpiperidin-4-yl)ethyl]propan-2-amine has a molecular weight of 294.87 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[1-(1-methylpiperidin-4-yl)ethyl]propan-2-amine is sourced from PubChem (CID 43677582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).