2-(4-phenylpiperidin-1-yl)quinolin-6-amine

C20H21N3 — CID 90005473

IUPAC2-(4-phenylpiperidin-1-yl)quinolin-6-amine
SMILESNc1ccc2nc(N3CCC(c4ccccc4)CC3)ccc2c1
InChIInChI=1S/C20H21N3/c21-18-7-8-19-17(14-18)6-9-20(22-19)23-12-10-16(11-13-23)15-4-2-1-3-5-15/h1-9,14,16H,10-13,21H2
InChIKeyOJKDYDBMNAQVFC-UHFFFAOYSA-N
MW303.41 g/mol
LogP4.20
Rot. Bonds2

About 2-(4-phenylpiperidin-1-yl)quinolin-6-amine

2-(4-phenylpiperidin-1-yl)quinolin-6-amine (PubChem CID 90005473) has the molecular formula C20H21N3 and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-(4-phenylpiperidin-1-yl)quinolin-6-amine.

Molecular Properties

Compound Name2-(4-phenylpiperidin-1-yl)quinolin-6-amine
PubChem CID90005473
Molecular FormulaC20H21N3
Molecular Weight303.41 g/mol
Exact Mass303.17
IUPAC Name2-(4-phenylpiperidin-1-yl)quinolin-6-amine
SMILESNc1ccc2nc(N3CCC(c4ccccc4)CC3)ccc2c1
InChIInChI=1S/C20H21N3/c21-18-7-8-19-17(14-18)6-9-20(22-19)23-12-10-16(11-13-23)15-4-2-1-3-5-15/h1-9,14,16H,10-13,21H2
InChIKeyOJKDYDBMNAQVFC-UHFFFAOYSA-N
XLogP4.20
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylpiperidin-1-yl)quinolin-6-amine?
The IUPAC name of 2-(4-phenylpiperidin-1-yl)quinolin-6-amine (CID 90005473) is 2-(4-phenylpiperidin-1-yl)quinolin-6-amine.
What is the SMILES notation for 2-(4-phenylpiperidin-1-yl)quinolin-6-amine?
The canonical SMILES for 2-(4-phenylpiperidin-1-yl)quinolin-6-amine is Nc1ccc2nc(N3CCC(c4ccccc4)CC3)ccc2c1.
What is the InChIKey of 2-(4-phenylpiperidin-1-yl)quinolin-6-amine?
The InChIKey is OJKDYDBMNAQVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3/c21-18-7-8-19-17(14-18)6-9-20(22-19)23-12-10-16(11-13-23)15-4-2-1-3-5-15/h1-9,14,16H,10-13,21H2.
What are the key properties of 2-(4-phenylpiperidin-1-yl)quinolin-6-amine?
2-(4-phenylpiperidin-1-yl)quinolin-6-amine has a molecular weight of 303.41 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylpiperidin-1-yl)quinolin-6-amine is sourced from PubChem (CID 90005473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).