N-(4-chlorophenyl)-1-ethylpiperidin-4-amine

C13H19ClN2 — CID 868366

IUPACN-(4-chlorophenyl)-1-ethylpiperidin-4-amine
SMILESCCN1CCC(Nc2ccc(Cl)cc2)CC1
InChIInChI=1S/C13H19ClN2/c1-2-16-9-7-13(8-10-16)15-12-5-3-11(14)4-6-12/h3-6,13,15H,2,7-10H2,1H3
InChIKeyIZMUIBJSNGUGLL-UHFFFAOYSA-N
MW238.76 g/mol
LogP3.24
Rot. Bonds3

About N-(4-chlorophenyl)-1-ethylpiperidin-4-amine

N-(4-chlorophenyl)-1-ethylpiperidin-4-amine (PubChem CID 868366) has the molecular formula C13H19ClN2 and a molecular weight of 238.76 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-ethylpiperidin-4-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-ethylpiperidin-4-amine
PubChem CID868366
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC NameN-(4-chlorophenyl)-1-ethylpiperidin-4-amine
SMILESCCN1CCC(Nc2ccc(Cl)cc2)CC1
InChIInChI=1S/C13H19ClN2/c1-2-16-9-7-13(8-10-16)15-12-5-3-11(14)4-6-12/h3-6,13,15H,2,7-10H2,1H3
InChIKeyIZMUIBJSNGUGLL-UHFFFAOYSA-N
XLogP3.24
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1-ethylpiperidin-4-amine?
The IUPAC name of N-(4-chlorophenyl)-1-ethylpiperidin-4-amine (CID 868366) is N-(4-chlorophenyl)-1-ethylpiperidin-4-amine.
What is the SMILES notation for N-(4-chlorophenyl)-1-ethylpiperidin-4-amine?
The canonical SMILES for N-(4-chlorophenyl)-1-ethylpiperidin-4-amine is CCN1CCC(Nc2ccc(Cl)cc2)CC1.
What is the InChIKey of N-(4-chlorophenyl)-1-ethylpiperidin-4-amine?
The InChIKey is IZMUIBJSNGUGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2/c1-2-16-9-7-13(8-10-16)15-12-5-3-11(14)4-6-12/h3-6,13,15H,2,7-10H2,1H3.
What are the key properties of N-(4-chlorophenyl)-1-ethylpiperidin-4-amine?
N-(4-chlorophenyl)-1-ethylpiperidin-4-amine has a molecular weight of 238.76 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1-ethylpiperidin-4-amine is sourced from PubChem (CID 868366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).