1-(4-chlorophenyl)-1-(2,4-dimethylpiperidin-1-yl)propan-2-amine

C16H25ClN2 — CID 62330116

IUPAC1-(4-chlorophenyl)-1-(2,4-dimethylpiperidin-1-yl)propan-2-amine
SMILESCC1CCN(C(c2ccc(Cl)cc2)C(C)N)C(C)C1
InChIInChI=1S/C16H25ClN2/c1-11-8-9-19(12(2)10-11)16(13(3)18)14-4-6-15(17)7-5-14/h4-7,11-13,16H,8-10,18H2,1-3H3
InChIKeyAODYPHGNHMSEFG-UHFFFAOYSA-N
MW280.84 g/mol
LogP3.85
Rot. Bonds3

About 1-(4-chlorophenyl)-1-(2,4-dimethylpiperidin-1-yl)propan-2-amine

1-(4-chlorophenyl)-1-(2,4-dimethylpiperidin-1-yl)propan-2-amine (PubChem CID 62330116) has the molecular formula C16H25ClN2 and a molecular weight of 280.84 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-1-(2,4-dimethylpiperidin-1-yl)propan-2-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-1-(2,4-dimethylpiperidin-1-yl)propan-2-amine
PubChem CID62330116
Molecular FormulaC16H25ClN2
Molecular Weight280.84 g/mol
Exact Mass280.17
IUPAC Name1-(4-chlorophenyl)-1-(2,4-dimethylpiperidin-1-yl)propan-2-amine
SMILESCC1CCN(C(c2ccc(Cl)cc2)C(C)N)C(C)C1
InChIInChI=1S/C16H25ClN2/c1-11-8-9-19(12(2)10-11)16(13(3)18)14-4-6-15(17)7-5-14/h4-7,11-13,16H,8-10,18H2,1-3H3
InChIKeyAODYPHGNHMSEFG-UHFFFAOYSA-N
XLogP3.85
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.84
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-1-(2,4-dimethylpiperidin-1-yl)propan-2-amine?
The IUPAC name of 1-(4-chlorophenyl)-1-(2,4-dimethylpiperidin-1-yl)propan-2-amine (CID 62330116) is 1-(4-chlorophenyl)-1-(2,4-dimethylpiperidin-1-yl)propan-2-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-1-(2,4-dimethylpiperidin-1-yl)propan-2-amine?
The canonical SMILES for 1-(4-chlorophenyl)-1-(2,4-dimethylpiperidin-1-yl)propan-2-amine is CC1CCN(C(c2ccc(Cl)cc2)C(C)N)C(C)C1.
What is the InChIKey of 1-(4-chlorophenyl)-1-(2,4-dimethylpiperidin-1-yl)propan-2-amine?
The InChIKey is AODYPHGNHMSEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2/c1-11-8-9-19(12(2)10-11)16(13(3)18)14-4-6-15(17)7-5-14/h4-7,11-13,16H,8-10,18H2,1-3H3.
What are the key properties of 1-(4-chlorophenyl)-1-(2,4-dimethylpiperidin-1-yl)propan-2-amine?
1-(4-chlorophenyl)-1-(2,4-dimethylpiperidin-1-yl)propan-2-amine has a molecular weight of 280.84 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-1-(2,4-dimethylpiperidin-1-yl)propan-2-amine is sourced from PubChem (CID 62330116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).