2-phenyl-N-(2-piperidin-1-ylethyl)quinolin-4-amine

C22H25N3 — CID 2728458

IUPAC2-phenyl-N-(2-piperidin-1-ylethyl)quinolin-4-amine
SMILESc1ccc(-c2cc(NCCN3CCCCC3)c3ccccc3n2)cc1
InChIInChI=1S/C22H25N3/c1-3-9-18(10-4-1)21-17-22(19-11-5-6-12-20(19)24-21)23-13-16-25-14-7-2-8-15-25/h1,3-6,9-12,17H,2,7-8,13-16H2,(H,23,24)
InChIKeySGXGHCIPPADGCD-UHFFFAOYSA-N
MW331.46 g/mol
LogP4.80
Rot. Bonds5

About 2-phenyl-N-(2-piperidin-1-ylethyl)quinolin-4-amine

2-phenyl-N-(2-piperidin-1-ylethyl)quinolin-4-amine (PubChem CID 2728458) has the molecular formula C22H25N3 and a molecular weight of 331.46 g/mol. Its IUPAC name is 2-phenyl-N-(2-piperidin-1-ylethyl)quinolin-4-amine.

Molecular Properties

Compound Name2-phenyl-N-(2-piperidin-1-ylethyl)quinolin-4-amine
PubChem CID2728458
Molecular FormulaC22H25N3
Molecular Weight331.46 g/mol
Exact Mass331.20
IUPAC Name2-phenyl-N-(2-piperidin-1-ylethyl)quinolin-4-amine
SMILESc1ccc(-c2cc(NCCN3CCCCC3)c3ccccc3n2)cc1
InChIInChI=1S/C22H25N3/c1-3-9-18(10-4-1)21-17-22(19-11-5-6-12-20(19)24-21)23-13-16-25-14-7-2-8-15-25/h1,3-6,9-12,17H,2,7-8,13-16H2,(H,23,24)
InChIKeySGXGHCIPPADGCD-UHFFFAOYSA-N
XLogP4.80
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(2-piperidin-1-ylethyl)quinolin-4-amine?
The IUPAC name of 2-phenyl-N-(2-piperidin-1-ylethyl)quinolin-4-amine (CID 2728458) is 2-phenyl-N-(2-piperidin-1-ylethyl)quinolin-4-amine.
What is the SMILES notation for 2-phenyl-N-(2-piperidin-1-ylethyl)quinolin-4-amine?
The canonical SMILES for 2-phenyl-N-(2-piperidin-1-ylethyl)quinolin-4-amine is c1ccc(-c2cc(NCCN3CCCCC3)c3ccccc3n2)cc1.
What is the InChIKey of 2-phenyl-N-(2-piperidin-1-ylethyl)quinolin-4-amine?
The InChIKey is SGXGHCIPPADGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3/c1-3-9-18(10-4-1)21-17-22(19-11-5-6-12-20(19)24-21)23-13-16-25-14-7-2-8-15-25/h1,3-6,9-12,17H,2,7-8,13-16H2,(H,23,24).
What are the key properties of 2-phenyl-N-(2-piperidin-1-ylethyl)quinolin-4-amine?
2-phenyl-N-(2-piperidin-1-ylethyl)quinolin-4-amine has a molecular weight of 331.46 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(2-piperidin-1-ylethyl)quinolin-4-amine is sourced from PubChem (CID 2728458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).