N-phenylpiperidin-1-amine

C11H16N2 — CID 3308575

IUPACN-phenylpiperidin-1-amine
SMILESc1ccc(NN2CCCCC2)cc1
InChIInChI=1S/C11H16N2/c1-3-7-11(8-4-1)12-13-9-5-2-6-10-13/h1,3-4,7-8,12H,2,5-6,9-10H2
InChIKeyKMJZFJMFHOPFPJ-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.50
Rot. Bonds2

About N-phenylpiperidin-1-amine

N-phenylpiperidin-1-amine (PubChem CID 3308575) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is N-phenylpiperidin-1-amine.

Molecular Properties

Compound NameN-phenylpiperidin-1-amine
PubChem CID3308575
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC NameN-phenylpiperidin-1-amine
SMILESc1ccc(NN2CCCCC2)cc1
InChIInChI=1S/C11H16N2/c1-3-7-11(8-4-1)12-13-9-5-2-6-10-13/h1,3-4,7-8,12H,2,5-6,9-10H2
InChIKeyKMJZFJMFHOPFPJ-UHFFFAOYSA-N
XLogP2.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-phenylpiperidin-1-amine?
The IUPAC name of N-phenylpiperidin-1-amine (CID 3308575) is N-phenylpiperidin-1-amine.
What is the SMILES notation for N-phenylpiperidin-1-amine?
The canonical SMILES for N-phenylpiperidin-1-amine is c1ccc(NN2CCCCC2)cc1.
What is the InChIKey of N-phenylpiperidin-1-amine?
The InChIKey is KMJZFJMFHOPFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-3-7-11(8-4-1)12-13-9-5-2-6-10-13/h1,3-4,7-8,12H,2,5-6,9-10H2.
What are the key properties of N-phenylpiperidin-1-amine?
N-phenylpiperidin-1-amine has a molecular weight of 176.26 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenylpiperidin-1-amine is sourced from PubChem (CID 3308575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).