N-(2-chlorophenyl)-1-cyclopentylpiperidin-1-ium-4-amine

C16H24ClN2+ — CID 7370784

IUPACN-(2-chlorophenyl)-1-cyclopentylpiperidin-1-ium-4-amine
SMILESClc1ccccc1NC1CC[NH+](C2CCCC2)CC1
InChIInChI=1S/C16H23ClN2/c17-15-7-3-4-8-16(15)18-13-9-11-19(12-10-13)14-5-1-2-6-14/h3-4,7-8,13-14,18H,1-2,5-6,9-12H2/p+1
InChIKeyPGJFPSVUUFTCFG-UHFFFAOYSA-O
MW279.83 g/mol
LogP2.74
Rot. Bonds3

About N-(2-chlorophenyl)-1-cyclopentylpiperidin-1-ium-4-amine

N-(2-chlorophenyl)-1-cyclopentylpiperidin-1-ium-4-amine (PubChem CID 7370784) has the molecular formula C16H24ClN2+ and a molecular weight of 279.83 g/mol. Its IUPAC name is N-(2-chlorophenyl)-1-cyclopentylpiperidin-1-ium-4-amine.

Molecular Properties

Compound NameN-(2-chlorophenyl)-1-cyclopentylpiperidin-1-ium-4-amine
PubChem CID7370784
Molecular FormulaC16H24ClN2+
Molecular Weight279.83 g/mol
Exact Mass279.16
IUPAC NameN-(2-chlorophenyl)-1-cyclopentylpiperidin-1-ium-4-amine
SMILESClc1ccccc1NC1CC[NH+](C2CCCC2)CC1
InChIInChI=1S/C16H23ClN2/c17-15-7-3-4-8-16(15)18-13-9-11-19(12-10-13)14-5-1-2-6-14/h3-4,7-8,13-14,18H,1-2,5-6,9-12H2/p+1
InChIKeyPGJFPSVUUFTCFG-UHFFFAOYSA-O
XLogP2.74
TPSA16.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.83
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-1-cyclopentylpiperidin-1-ium-4-amine?
The IUPAC name of N-(2-chlorophenyl)-1-cyclopentylpiperidin-1-ium-4-amine (CID 7370784) is N-(2-chlorophenyl)-1-cyclopentylpiperidin-1-ium-4-amine.
What is the SMILES notation for N-(2-chlorophenyl)-1-cyclopentylpiperidin-1-ium-4-amine?
The canonical SMILES for N-(2-chlorophenyl)-1-cyclopentylpiperidin-1-ium-4-amine is Clc1ccccc1NC1CC[NH+](C2CCCC2)CC1.
What is the InChIKey of N-(2-chlorophenyl)-1-cyclopentylpiperidin-1-ium-4-amine?
The InChIKey is PGJFPSVUUFTCFG-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H23ClN2/c17-15-7-3-4-8-16(15)18-13-9-11-19(12-10-13)14-5-1-2-6-14/h3-4,7-8,13-14,18H,1-2,5-6,9-12H2/p+1.
What are the key properties of N-(2-chlorophenyl)-1-cyclopentylpiperidin-1-ium-4-amine?
N-(2-chlorophenyl)-1-cyclopentylpiperidin-1-ium-4-amine has a molecular weight of 279.83 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-1-cyclopentylpiperidin-1-ium-4-amine is sourced from PubChem (CID 7370784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).