N-(2-chlorophenyl)-1-cycloheptylpiperidin-4-amine

C18H27ClN2 — CID 3576043

IUPACN-(2-chlorophenyl)-1-cycloheptylpiperidin-4-amine
SMILESClc1ccccc1NC1CCN(C2CCCCCC2)CC1
InChIInChI=1S/C18H27ClN2/c19-17-9-5-6-10-18(17)20-15-11-13-21(14-12-15)16-7-3-1-2-4-8-16/h5-6,9-10,15-16,20H,1-4,7-8,11-14H2
InChIKeyIYHSUYGRBYLAET-UHFFFAOYSA-N
MW306.88 g/mol
LogP4.94
Rot. Bonds3

About N-(2-chlorophenyl)-1-cycloheptylpiperidin-4-amine

N-(2-chlorophenyl)-1-cycloheptylpiperidin-4-amine (PubChem CID 3576043) has the molecular formula C18H27ClN2 and a molecular weight of 306.88 g/mol. Its IUPAC name is N-(2-chlorophenyl)-1-cycloheptylpiperidin-4-amine.

Molecular Properties

Compound NameN-(2-chlorophenyl)-1-cycloheptylpiperidin-4-amine
PubChem CID3576043
Molecular FormulaC18H27ClN2
Molecular Weight306.88 g/mol
Exact Mass306.19
IUPAC NameN-(2-chlorophenyl)-1-cycloheptylpiperidin-4-amine
SMILESClc1ccccc1NC1CCN(C2CCCCCC2)CC1
InChIInChI=1S/C18H27ClN2/c19-17-9-5-6-10-18(17)20-15-11-13-21(14-12-15)16-7-3-1-2-4-8-16/h5-6,9-10,15-16,20H,1-4,7-8,11-14H2
InChIKeyIYHSUYGRBYLAET-UHFFFAOYSA-N
XLogP4.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.88
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 66545622
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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-1-cycloheptylpiperidin-4-amine?
The IUPAC name of N-(2-chlorophenyl)-1-cycloheptylpiperidin-4-amine (CID 3576043) is N-(2-chlorophenyl)-1-cycloheptylpiperidin-4-amine.
What is the SMILES notation for N-(2-chlorophenyl)-1-cycloheptylpiperidin-4-amine?
The canonical SMILES for N-(2-chlorophenyl)-1-cycloheptylpiperidin-4-amine is Clc1ccccc1NC1CCN(C2CCCCCC2)CC1.
What is the InChIKey of N-(2-chlorophenyl)-1-cycloheptylpiperidin-4-amine?
The InChIKey is IYHSUYGRBYLAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN2/c19-17-9-5-6-10-18(17)20-15-11-13-21(14-12-15)16-7-3-1-2-4-8-16/h5-6,9-10,15-16,20H,1-4,7-8,11-14H2.
What are the key properties of N-(2-chlorophenyl)-1-cycloheptylpiperidin-4-amine?
N-(2-chlorophenyl)-1-cycloheptylpiperidin-4-amine has a molecular weight of 306.88 g/mol, XLogP of 4.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-1-cycloheptylpiperidin-4-amine is sourced from PubChem (CID 3576043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).