N-(4-chlorophenyl)-1-propan-2-ylpiperidin-4-amine

C14H21ClN2 — CID 3017394

IUPACN-(4-chlorophenyl)-1-propan-2-ylpiperidin-4-amine
SMILESCC(C)N1CCC(Nc2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H21ClN2/c1-11(2)17-9-7-14(8-10-17)16-13-5-3-12(15)4-6-13/h3-6,11,14,16H,7-10H2,1-2H3
InChIKeyJLLCBWRGOGXRBX-UHFFFAOYSA-N
MW252.79 g/mol
LogP3.62
Rot. Bonds3

About N-(4-chlorophenyl)-1-propan-2-ylpiperidin-4-amine

N-(4-chlorophenyl)-1-propan-2-ylpiperidin-4-amine (PubChem CID 3017394) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-propan-2-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-propan-2-ylpiperidin-4-amine
PubChem CID3017394
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC NameN-(4-chlorophenyl)-1-propan-2-ylpiperidin-4-amine
SMILESCC(C)N1CCC(Nc2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H21ClN2/c1-11(2)17-9-7-14(8-10-17)16-13-5-3-12(15)4-6-13/h3-6,11,14,16H,7-10H2,1-2H3
InChIKeyJLLCBWRGOGXRBX-UHFFFAOYSA-N
XLogP3.62
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 ≤ 53.62
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-propan-2-ylpiperidin-4-amine?
The IUPAC name of N-(4-chlorophenyl)-1-propan-2-ylpiperidin-4-amine (CID 3017394) is N-(4-chlorophenyl)-1-propan-2-ylpiperidin-4-amine.
What is the SMILES notation for N-(4-chlorophenyl)-1-propan-2-ylpiperidin-4-amine?
The canonical SMILES for N-(4-chlorophenyl)-1-propan-2-ylpiperidin-4-amine is CC(C)N1CCC(Nc2ccc(Cl)cc2)CC1.
What is the InChIKey of N-(4-chlorophenyl)-1-propan-2-ylpiperidin-4-amine?
The InChIKey is JLLCBWRGOGXRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-11(2)17-9-7-14(8-10-17)16-13-5-3-12(15)4-6-13/h3-6,11,14,16H,7-10H2,1-2H3.
What are the key properties of N-(4-chlorophenyl)-1-propan-2-ylpiperidin-4-amine?
N-(4-chlorophenyl)-1-propan-2-ylpiperidin-4-amine has a molecular weight of 252.79 g/mol, XLogP of 3.62, 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-propan-2-ylpiperidin-4-amine is sourced from PubChem (CID 3017394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).