N-(4-piperidin-1-ylbutyl)quinolin-4-amine

C18H25N3 — CID 10978950

IUPACN-(4-piperidin-1-ylbutyl)quinolin-4-amine
SMILESc1ccc2c(NCCCCN3CCCCC3)ccnc2c1
InChIInChI=1S/C18H25N3/c1-5-13-21(14-6-1)15-7-4-11-19-18-10-12-20-17-9-3-2-8-16(17)18/h2-3,8-10,12H,1,4-7,11,13-15H2,(H,19,20)
InChIKeyXPGYGUPYXYKRIT-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.91
Rot. Bonds6

About N-(4-piperidin-1-ylbutyl)quinolin-4-amine

N-(4-piperidin-1-ylbutyl)quinolin-4-amine (PubChem CID 10978950) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-(4-piperidin-1-ylbutyl)quinolin-4-amine.

Molecular Properties

Compound NameN-(4-piperidin-1-ylbutyl)quinolin-4-amine
PubChem CID10978950
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC NameN-(4-piperidin-1-ylbutyl)quinolin-4-amine
SMILESc1ccc2c(NCCCCN3CCCCC3)ccnc2c1
InChIInChI=1S/C18H25N3/c1-5-13-21(14-6-1)15-7-4-11-19-18-10-12-20-17-9-3-2-8-16(17)18/h2-3,8-10,12H,1,4-7,11,13-15H2,(H,19,20)
InChIKeyXPGYGUPYXYKRIT-UHFFFAOYSA-N
XLogP3.91
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.91
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-(4-piperidin-1-ylbutyl)quinolin-4-amine?
The IUPAC name of N-(4-piperidin-1-ylbutyl)quinolin-4-amine (CID 10978950) is N-(4-piperidin-1-ylbutyl)quinolin-4-amine.
What is the SMILES notation for N-(4-piperidin-1-ylbutyl)quinolin-4-amine?
The canonical SMILES for N-(4-piperidin-1-ylbutyl)quinolin-4-amine is c1ccc2c(NCCCCN3CCCCC3)ccnc2c1.
What is the InChIKey of N-(4-piperidin-1-ylbutyl)quinolin-4-amine?
The InChIKey is XPGYGUPYXYKRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-5-13-21(14-6-1)15-7-4-11-19-18-10-12-20-17-9-3-2-8-16(17)18/h2-3,8-10,12H,1,4-7,11,13-15H2,(H,19,20).
What are the key properties of N-(4-piperidin-1-ylbutyl)quinolin-4-amine?
N-(4-piperidin-1-ylbutyl)quinolin-4-amine has a molecular weight of 283.42 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-piperidin-1-ylbutyl)quinolin-4-amine is sourced from PubChem (CID 10978950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).