N-(2-piperidin-1-ylphenyl)azepan-4-amine

C17H27N3 — CID 103980647

IUPACN-(2-piperidin-1-ylphenyl)azepan-4-amine
SMILESc1ccc(N2CCCCC2)c(NC2CCCNCC2)c1
InChIInChI=1S/C17H27N3/c1-4-13-20(14-5-1)17-9-3-2-8-16(17)19-15-7-6-11-18-12-10-15/h2-3,8-9,15,18-19H,1,4-7,10-14H2
InChIKeyVAFNJKHQYRICEF-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.23
Rot. Bonds3

About N-(2-piperidin-1-ylphenyl)azepan-4-amine

N-(2-piperidin-1-ylphenyl)azepan-4-amine (PubChem CID 103980647) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is N-(2-piperidin-1-ylphenyl)azepan-4-amine.

Molecular Properties

Compound NameN-(2-piperidin-1-ylphenyl)azepan-4-amine
PubChem CID103980647
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC NameN-(2-piperidin-1-ylphenyl)azepan-4-amine
SMILESc1ccc(N2CCCCC2)c(NC2CCCNCC2)c1
InChIInChI=1S/C17H27N3/c1-4-13-20(14-5-1)17-9-3-2-8-16(17)19-15-7-6-11-18-12-10-15/h2-3,8-9,15,18-19H,1,4-7,10-14H2
InChIKeyVAFNJKHQYRICEF-UHFFFAOYSA-N
XLogP3.23
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-piperidin-1-ylphenyl)azepan-4-amine?
The IUPAC name of N-(2-piperidin-1-ylphenyl)azepan-4-amine (CID 103980647) is N-(2-piperidin-1-ylphenyl)azepan-4-amine.
What is the SMILES notation for N-(2-piperidin-1-ylphenyl)azepan-4-amine?
The canonical SMILES for N-(2-piperidin-1-ylphenyl)azepan-4-amine is c1ccc(N2CCCCC2)c(NC2CCCNCC2)c1.
What is the InChIKey of N-(2-piperidin-1-ylphenyl)azepan-4-amine?
The InChIKey is VAFNJKHQYRICEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-4-13-20(14-5-1)17-9-3-2-8-16(17)19-15-7-6-11-18-12-10-15/h2-3,8-9,15,18-19H,1,4-7,10-14H2.
What are the key properties of N-(2-piperidin-1-ylphenyl)azepan-4-amine?
N-(2-piperidin-1-ylphenyl)azepan-4-amine has a molecular weight of 273.42 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperidin-1-ylphenyl)azepan-4-amine is sourced from PubChem (CID 103980647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).