1-(4-chlorophenyl)-3-(2,3-dimethylpiperidin-1-yl)-N-methylpropan-1-amine

C17H27ClN2 — CID 62643283

IUPAC1-(4-chlorophenyl)-3-(2,3-dimethylpiperidin-1-yl)-N-methylpropan-1-amine
SMILESCNC(CCN1CCCC(C)C1C)c1ccc(Cl)cc1
InChIInChI=1S/C17H27ClN2/c1-13-5-4-11-20(14(13)2)12-10-17(19-3)15-6-8-16(18)9-7-15/h6-9,13-14,17,19H,4-5,10-12H2,1-3H3
InChIKeyFJZUVFOTCPUAKL-UHFFFAOYSA-N
MW294.87 g/mol
LogP4.11
Rot. Bonds5

About 1-(4-chlorophenyl)-3-(2,3-dimethylpiperidin-1-yl)-N-methylpropan-1-amine

1-(4-chlorophenyl)-3-(2,3-dimethylpiperidin-1-yl)-N-methylpropan-1-amine (PubChem CID 62643283) has the molecular formula C17H27ClN2 and a molecular weight of 294.87 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(2,3-dimethylpiperidin-1-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(2,3-dimethylpiperidin-1-yl)-N-methylpropan-1-amine
PubChem CID62643283
Molecular FormulaC17H27ClN2
Molecular Weight294.87 g/mol
Exact Mass294.19
IUPAC Name1-(4-chlorophenyl)-3-(2,3-dimethylpiperidin-1-yl)-N-methylpropan-1-amine
SMILESCNC(CCN1CCCC(C)C1C)c1ccc(Cl)cc1
InChIInChI=1S/C17H27ClN2/c1-13-5-4-11-20(14(13)2)12-10-17(19-3)15-6-8-16(18)9-7-15/h6-9,13-14,17,19H,4-5,10-12H2,1-3H3
InChIKeyFJZUVFOTCPUAKL-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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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(2,3-dimethylpiperidin-1-yl)-N-methylpropan-1-amine?
The IUPAC name of 1-(4-chlorophenyl)-3-(2,3-dimethylpiperidin-1-yl)-N-methylpropan-1-amine (CID 62643283) is 1-(4-chlorophenyl)-3-(2,3-dimethylpiperidin-1-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(2,3-dimethylpiperidin-1-yl)-N-methylpropan-1-amine?
The canonical SMILES for 1-(4-chlorophenyl)-3-(2,3-dimethylpiperidin-1-yl)-N-methylpropan-1-amine is CNC(CCN1CCCC(C)C1C)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(2,3-dimethylpiperidin-1-yl)-N-methylpropan-1-amine?
The InChIKey is FJZUVFOTCPUAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2/c1-13-5-4-11-20(14(13)2)12-10-17(19-3)15-6-8-16(18)9-7-15/h6-9,13-14,17,19H,4-5,10-12H2,1-3H3.
What are the key properties of 1-(4-chlorophenyl)-3-(2,3-dimethylpiperidin-1-yl)-N-methylpropan-1-amine?
1-(4-chlorophenyl)-3-(2,3-dimethylpiperidin-1-yl)-N-methylpropan-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)-3-(2,3-dimethylpiperidin-1-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 62643283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).