1-(2-chlorophenyl)-N-ethyl-3-methylpiperidin-4-amine

C14H21ClN2 — CID 54975148

IUPAC1-(2-chlorophenyl)-N-ethyl-3-methylpiperidin-4-amine
SMILESCCNC1CCN(c2ccccc2Cl)CC1C
InChIInChI=1S/C14H21ClN2/c1-3-16-13-8-9-17(10-11(13)2)14-7-5-4-6-12(14)15/h4-7,11,13,16H,3,8-10H2,1-2H3
InChIKeyOGIXSHPJGSZLCC-UHFFFAOYSA-N
MW252.79 g/mol
LogP3.16
Rot. Bonds3

About 1-(2-chlorophenyl)-N-ethyl-3-methylpiperidin-4-amine

1-(2-chlorophenyl)-N-ethyl-3-methylpiperidin-4-amine (PubChem CID 54975148) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-ethyl-3-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-ethyl-3-methylpiperidin-4-amine
PubChem CID54975148
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name1-(2-chlorophenyl)-N-ethyl-3-methylpiperidin-4-amine
SMILESCCNC1CCN(c2ccccc2Cl)CC1C
InChIInChI=1S/C14H21ClN2/c1-3-16-13-8-9-17(10-11(13)2)14-7-5-4-6-12(14)15/h4-7,11,13,16H,3,8-10H2,1-2H3
InChIKeyOGIXSHPJGSZLCC-UHFFFAOYSA-N
XLogP3.16
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-ethyl-3-methylpiperidin-4-amine?
The IUPAC name of 1-(2-chlorophenyl)-N-ethyl-3-methylpiperidin-4-amine (CID 54975148) is 1-(2-chlorophenyl)-N-ethyl-3-methylpiperidin-4-amine.
What is the SMILES notation for 1-(2-chlorophenyl)-N-ethyl-3-methylpiperidin-4-amine?
The canonical SMILES for 1-(2-chlorophenyl)-N-ethyl-3-methylpiperidin-4-amine is CCNC1CCN(c2ccccc2Cl)CC1C.
What is the InChIKey of 1-(2-chlorophenyl)-N-ethyl-3-methylpiperidin-4-amine?
The InChIKey is OGIXSHPJGSZLCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-3-16-13-8-9-17(10-11(13)2)14-7-5-4-6-12(14)15/h4-7,11,13,16H,3,8-10H2,1-2H3.
What are the key properties of 1-(2-chlorophenyl)-N-ethyl-3-methylpiperidin-4-amine?
1-(2-chlorophenyl)-N-ethyl-3-methylpiperidin-4-amine has a molecular weight of 252.79 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-ethyl-3-methylpiperidin-4-amine is sourced from PubChem (CID 54975148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).