N-(5-piperidin-1-ylpentyl)quinolin-4-amine

C19H27N3 — CID 11033823

IUPACN-(5-piperidin-1-ylpentyl)quinolin-4-amine
SMILESc1ccc2c(NCCCCCN3CCCCC3)ccnc2c1
InChIInChI=1S/C19H27N3/c1(6-14-22-15-7-2-8-16-22)5-12-20-19-11-13-21-18-10-4-3-9-17(18)19/h3-4,9-11,13H,1-2,5-8,12,14-16H2,(H,20,21)
InChIKeyYCYKTSCPZUNWHV-UHFFFAOYSA-N
MW297.45 g/mol
LogP4.30
Rot. Bonds7

About N-(5-piperidin-1-ylpentyl)quinolin-4-amine

N-(5-piperidin-1-ylpentyl)quinolin-4-amine (PubChem CID 11033823) has the molecular formula C19H27N3 and a molecular weight of 297.45 g/mol. Its IUPAC name is N-(5-piperidin-1-ylpentyl)quinolin-4-amine.

Molecular Properties

Compound NameN-(5-piperidin-1-ylpentyl)quinolin-4-amine
PubChem CID11033823
Molecular FormulaC19H27N3
Molecular Weight297.45 g/mol
Exact Mass297.22
IUPAC NameN-(5-piperidin-1-ylpentyl)quinolin-4-amine
SMILESc1ccc2c(NCCCCCN3CCCCC3)ccnc2c1
InChIInChI=1S/C19H27N3/c1(6-14-22-15-7-2-8-16-22)5-12-20-19-11-13-21-18-10-4-3-9-17(18)19/h3-4,9-11,13H,1-2,5-8,12,14-16H2,(H,20,21)
InChIKeyYCYKTSCPZUNWHV-UHFFFAOYSA-N
XLogP4.30
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.45
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-piperidin-1-ylpentyl)quinolin-4-amine?
The IUPAC name of N-(5-piperidin-1-ylpentyl)quinolin-4-amine (CID 11033823) is N-(5-piperidin-1-ylpentyl)quinolin-4-amine.
What is the SMILES notation for N-(5-piperidin-1-ylpentyl)quinolin-4-amine?
The canonical SMILES for N-(5-piperidin-1-ylpentyl)quinolin-4-amine is c1ccc2c(NCCCCCN3CCCCC3)ccnc2c1.
What is the InChIKey of N-(5-piperidin-1-ylpentyl)quinolin-4-amine?
The InChIKey is YCYKTSCPZUNWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3/c1(6-14-22-15-7-2-8-16-22)5-12-20-19-11-13-21-18-10-4-3-9-17(18)19/h3-4,9-11,13H,1-2,5-8,12,14-16H2,(H,20,21).
What are the key properties of N-(5-piperidin-1-ylpentyl)quinolin-4-amine?
N-(5-piperidin-1-ylpentyl)quinolin-4-amine has a molecular weight of 297.45 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-piperidin-1-ylpentyl)quinolin-4-amine is sourced from PubChem (CID 11033823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).