1-[2-(4-chlorophenyl)ethyl]-N,2-dimethylpiperidin-4-amine

C15H23ClN2 — CID 54976190

IUPAC1-[2-(4-chlorophenyl)ethyl]-N,2-dimethylpiperidin-4-amine
SMILESCNC1CCN(CCc2ccc(Cl)cc2)C(C)C1
InChIInChI=1S/C15H23ClN2/c1-12-11-15(17-2)8-10-18(12)9-7-13-3-5-14(16)6-4-13/h3-6,12,15,17H,7-11H2,1-2H3
InChIKeyPIPDYSQHJKQUKA-UHFFFAOYSA-N
MW266.82 g/mol
LogP2.95
Rot. Bonds4

About 1-[2-(4-chlorophenyl)ethyl]-N,2-dimethylpiperidin-4-amine

1-[2-(4-chlorophenyl)ethyl]-N,2-dimethylpiperidin-4-amine (PubChem CID 54976190) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)ethyl]-N,2-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)ethyl]-N,2-dimethylpiperidin-4-amine
PubChem CID54976190
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC Name1-[2-(4-chlorophenyl)ethyl]-N,2-dimethylpiperidin-4-amine
SMILESCNC1CCN(CCc2ccc(Cl)cc2)C(C)C1
InChIInChI=1S/C15H23ClN2/c1-12-11-15(17-2)8-10-18(12)9-7-13-3-5-14(16)6-4-13/h3-6,12,15,17H,7-11H2,1-2H3
InChIKeyPIPDYSQHJKQUKA-UHFFFAOYSA-N
XLogP2.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.82
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-N,2-dimethylpiperidin-4-amine?
The IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-N,2-dimethylpiperidin-4-amine (CID 54976190) is 1-[2-(4-chlorophenyl)ethyl]-N,2-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[2-(4-chlorophenyl)ethyl]-N,2-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[2-(4-chlorophenyl)ethyl]-N,2-dimethylpiperidin-4-amine is CNC1CCN(CCc2ccc(Cl)cc2)C(C)C1.
What is the InChIKey of 1-[2-(4-chlorophenyl)ethyl]-N,2-dimethylpiperidin-4-amine?
The InChIKey is PIPDYSQHJKQUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-12-11-15(17-2)8-10-18(12)9-7-13-3-5-14(16)6-4-13/h3-6,12,15,17H,7-11H2,1-2H3.
What are the key properties of 1-[2-(4-chlorophenyl)ethyl]-N,2-dimethylpiperidin-4-amine?
1-[2-(4-chlorophenyl)ethyl]-N,2-dimethylpiperidin-4-amine has a molecular weight of 266.82 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)ethyl]-N,2-dimethylpiperidin-4-amine is sourced from PubChem (CID 54976190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).