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

C14H21ClN2 — CID 23931209

IUPACN-(4-chlorophenyl)-1-propylpiperidin-4-amine
SMILESCCCN1CCC(Nc2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H21ClN2/c1-2-9-17-10-7-14(8-11-17)16-13-5-3-12(15)4-6-13/h3-6,14,16H,2,7-11H2,1H3
InChIKeyXPVHDSXWTRRAIL-UHFFFAOYSA-N
MW252.79 g/mol
LogP3.63
Rot. Bonds4

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

N-(4-chlorophenyl)-1-propylpiperidin-4-amine (PubChem CID 23931209) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-propylpiperidin-4-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-propylpiperidin-4-amine
PubChem CID23931209
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC NameN-(4-chlorophenyl)-1-propylpiperidin-4-amine
SMILESCCCN1CCC(Nc2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H21ClN2/c1-2-9-17-10-7-14(8-11-17)16-13-5-3-12(15)4-6-13/h3-6,14,16H,2,7-11H2,1H3
InChIKeyXPVHDSXWTRRAIL-UHFFFAOYSA-N
XLogP3.63
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 53.63
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-propylpiperidin-4-amine?
The IUPAC name of N-(4-chlorophenyl)-1-propylpiperidin-4-amine (CID 23931209) is N-(4-chlorophenyl)-1-propylpiperidin-4-amine.
What is the SMILES notation for N-(4-chlorophenyl)-1-propylpiperidin-4-amine?
The canonical SMILES for N-(4-chlorophenyl)-1-propylpiperidin-4-amine is CCCN1CCC(Nc2ccc(Cl)cc2)CC1.
What is the InChIKey of N-(4-chlorophenyl)-1-propylpiperidin-4-amine?
The InChIKey is XPVHDSXWTRRAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-2-9-17-10-7-14(8-11-17)16-13-5-3-12(15)4-6-13/h3-6,14,16H,2,7-11H2,1H3.
What are the key properties of N-(4-chlorophenyl)-1-propylpiperidin-4-amine?
N-(4-chlorophenyl)-1-propylpiperidin-4-amine has a molecular weight of 252.79 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1-propylpiperidin-4-amine is sourced from PubChem (CID 23931209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).