N-(6-piperidin-1-ylhexyl)quinolin-4-amine

C20H29N3 — CID 10957911

IUPACN-(6-piperidin-1-ylhexyl)quinolin-4-amine
SMILESc1ccc2c(NCCCCCCN3CCCCC3)ccnc2c1
InChIInChI=1S/C20H29N3/c1(2-7-15-23-16-8-3-9-17-23)6-13-21-20-12-14-22-19-11-5-4-10-18(19)20/h4-5,10-12,14H,1-3,6-9,13,15-17H2,(H,21,22)
InChIKeyVREKMFZBCCQMDZ-UHFFFAOYSA-N
MW311.47 g/mol
LogP4.69
Rot. Bonds8

About N-(6-piperidin-1-ylhexyl)quinolin-4-amine

N-(6-piperidin-1-ylhexyl)quinolin-4-amine (PubChem CID 10957911) has the molecular formula C20H29N3 and a molecular weight of 311.47 g/mol. Its IUPAC name is N-(6-piperidin-1-ylhexyl)quinolin-4-amine.

Molecular Properties

Compound NameN-(6-piperidin-1-ylhexyl)quinolin-4-amine
PubChem CID10957911
Molecular FormulaC20H29N3
Molecular Weight311.47 g/mol
Exact Mass311.24
IUPAC NameN-(6-piperidin-1-ylhexyl)quinolin-4-amine
SMILESc1ccc2c(NCCCCCCN3CCCCC3)ccnc2c1
InChIInChI=1S/C20H29N3/c1(2-7-15-23-16-8-3-9-17-23)6-13-21-20-12-14-22-19-11-5-4-10-18(19)20/h4-5,10-12,14H,1-3,6-9,13,15-17H2,(H,21,22)
InChIKeyVREKMFZBCCQMDZ-UHFFFAOYSA-N
XLogP4.69
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 54.69
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-(6-piperidin-1-ylhexyl)quinolin-4-amine?
The IUPAC name of N-(6-piperidin-1-ylhexyl)quinolin-4-amine (CID 10957911) is N-(6-piperidin-1-ylhexyl)quinolin-4-amine.
What is the SMILES notation for N-(6-piperidin-1-ylhexyl)quinolin-4-amine?
The canonical SMILES for N-(6-piperidin-1-ylhexyl)quinolin-4-amine is c1ccc2c(NCCCCCCN3CCCCC3)ccnc2c1.
What is the InChIKey of N-(6-piperidin-1-ylhexyl)quinolin-4-amine?
The InChIKey is VREKMFZBCCQMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3/c1(2-7-15-23-16-8-3-9-17-23)6-13-21-20-12-14-22-19-11-5-4-10-18(19)20/h4-5,10-12,14H,1-3,6-9,13,15-17H2,(H,21,22).
What are the key properties of N-(6-piperidin-1-ylhexyl)quinolin-4-amine?
N-(6-piperidin-1-ylhexyl)quinolin-4-amine has a molecular weight of 311.47 g/mol, XLogP of 4.69, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-piperidin-1-ylhexyl)quinolin-4-amine is sourced from PubChem (CID 10957911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).