1-(4-chlorophenyl)-N-[1-(1-methylpiperidin-3-yl)ethyl]propan-1-amine

C17H27ClN2 — CID 43688616

IUPAC1-(4-chlorophenyl)-N-[1-(1-methylpiperidin-3-yl)ethyl]propan-1-amine
SMILESCCC(NC(C)C1CCCN(C)C1)c1ccc(Cl)cc1
InChIInChI=1S/C17H27ClN2/c1-4-17(14-7-9-16(18)10-8-14)19-13(2)15-6-5-11-20(3)12-15/h7-10,13,15,17,19H,4-6,11-12H2,1-3H3
InChIKeyZHCYSQCNRLQGDS-UHFFFAOYSA-N
MW294.87 g/mol
LogP4.11
Rot. Bonds5

About 1-(4-chlorophenyl)-N-[1-(1-methylpiperidin-3-yl)ethyl]propan-1-amine

1-(4-chlorophenyl)-N-[1-(1-methylpiperidin-3-yl)ethyl]propan-1-amine (PubChem CID 43688616) 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-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[1-(1-methylpiperidin-3-yl)ethyl]propan-1-amine
PubChem CID43688616
Molecular FormulaC17H27ClN2
Molecular Weight294.87 g/mol
Exact Mass294.19
IUPAC Name1-(4-chlorophenyl)-N-[1-(1-methylpiperidin-3-yl)ethyl]propan-1-amine
SMILESCCC(NC(C)C1CCCN(C)C1)c1ccc(Cl)cc1
InChIInChI=1S/C17H27ClN2/c1-4-17(14-7-9-16(18)10-8-14)19-13(2)15-6-5-11-20(3)12-15/h7-10,13,15,17,19H,4-6,11-12H2,1-3H3
InChIKeyZHCYSQCNRLQGDS-UHFFFAOYSA-N
XLogP4.11
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 ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-N-[(1S)-1-cyclopentylethyl]butan-1-amine
CID 81386564
N',N'-dimethyl-N-[1-(1-methylpiperidin-3-yl)ethyl]-1-phenylethane-1,2-diamine
CID 43308300
N-[1-(1-ethylpiperidin-3-yl)ethyl]-1-(4-methylphenyl)propan-1-amine
CID 43714859
N-[1-(4-ethoxyphenyl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine
CID 43734733
1-cyclobutyl-N-[1-(1-methylpiperidin-3-yl)ethyl]ethanamine
CID 115896474
N-[(1S)-1-cyclopentylethyl]-1-(4-methylphenyl)propan-1-amine
CID 81386303
N-[1-(4-chlorophenyl)propyl]-1-ethylpiperidin-3-amine
CID 61171924
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine
CID 43692476
N-[cyclopropyl(phenyl)methyl]-1-(1-methylpiperidin-3-yl)ethanamine
CID 43724248
4-[1-[1-(1-methylpiperidin-3-yl)ethylamino]ethyl]benzonitrile
CID 43692380
N-[1-(4-chlorophenyl)propyl]cyclopentanamine
CID 43102155
N-[1-(4-fluorophenyl)propyl]-1-methylpiperidin-3-amine
CID 61211400

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[1-(1-methylpiperidin-3-yl)ethyl]propan-1-amine?
The IUPAC name of 1-(4-chlorophenyl)-N-[1-(1-methylpiperidin-3-yl)ethyl]propan-1-amine (CID 43688616) is 1-(4-chlorophenyl)-N-[1-(1-methylpiperidin-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[1-(1-methylpiperidin-3-yl)ethyl]propan-1-amine?
The canonical SMILES for 1-(4-chlorophenyl)-N-[1-(1-methylpiperidin-3-yl)ethyl]propan-1-amine is CCC(NC(C)C1CCCN(C)C1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[1-(1-methylpiperidin-3-yl)ethyl]propan-1-amine?
The InChIKey is ZHCYSQCNRLQGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2/c1-4-17(14-7-9-16(18)10-8-14)19-13(2)15-6-5-11-20(3)12-15/h7-10,13,15,17,19H,4-6,11-12H2,1-3H3.
What are the key properties of 1-(4-chlorophenyl)-N-[1-(1-methylpiperidin-3-yl)ethyl]propan-1-amine?
1-(4-chlorophenyl)-N-[1-(1-methylpiperidin-3-yl)ethyl]propan-1-amine has a molecular weight of 294.87 g/mol, XLogP of 4.11, 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-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 43688616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).