2-[3-(azepan-1-yl)piperidin-1-yl]quinoline

C20H27N3 — CID 133454492

IUPAC2-[3-(azepan-1-yl)piperidin-1-yl]quinoline
SMILESc1ccc2nc(N3CCCC(N4CCCCCC4)C3)ccc2c1
InChIInChI=1S/C20H27N3/c1-2-6-14-22(13-5-1)18-9-7-15-23(16-18)20-12-11-17-8-3-4-10-19(17)21-20/h3-4,8,10-12,18H,1-2,5-7,9,13-16H2
InChIKeyACEGIJIPKFOSPD-UHFFFAOYSA-N
MW309.46 g/mol
LogP4.08
Rot. Bonds2

About 2-[3-(azepan-1-yl)piperidin-1-yl]quinoline

2-[3-(azepan-1-yl)piperidin-1-yl]quinoline (PubChem CID 133454492) has the molecular formula C20H27N3 and a molecular weight of 309.46 g/mol. Its IUPAC name is 2-[3-(azepan-1-yl)piperidin-1-yl]quinoline.

Molecular Properties

Compound Name2-[3-(azepan-1-yl)piperidin-1-yl]quinoline
PubChem CID133454492
Molecular FormulaC20H27N3
Molecular Weight309.46 g/mol
Exact Mass309.22
IUPAC Name2-[3-(azepan-1-yl)piperidin-1-yl]quinoline
SMILESc1ccc2nc(N3CCCC(N4CCCCCC4)C3)ccc2c1
InChIInChI=1S/C20H27N3/c1-2-6-14-22(13-5-1)18-9-7-15-23(16-18)20-12-11-17-8-3-4-10-19(17)21-20/h3-4,8,10-12,18H,1-2,5-7,9,13-16H2
InChIKeyACEGIJIPKFOSPD-UHFFFAOYSA-N
XLogP4.08
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.46
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-pyrrolidin-1-ylazepan-1-yl)quinoline
CID 71192818
2-(4-cyclopentyl-1,4-diazepan-1-yl)quinoline
CID 70742061
2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]quinoxaline
CID 98763151
pyrrolidin-1-yl-[1-(1-quinolin-2-ylpiperidin-4-yl)piperidin-3-yl]methanone
CID 56868951
2-[(4R)-4-(3-methylidenepyrrolidin-1-yl)azepan-1-yl]quinoline
CID 89357718
2-[3-(azepan-1-yl)piperidin-1-yl]quinazolin-4-amine
CID 133454441
1-[1-(5-chloro-2-pyridinyl)piperidin-3-yl]azepane
CID 133454485
2-(3-pyridin-3-yloxypiperidin-1-yl)quinoline
CID 166603710
[6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-2-pyridinyl]methanol
CID 63150729
2-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]quinoline
CID 133396296
N-cyclohexyl-N-[2-(1-quinolin-2-ylpiperidin-3-yl)ethyl]formamide;ethane
CID 143229721
2-[(3S)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]quinoline
CID 97207632

Frequently Asked Questions

What is the IUPAC name of 2-[3-(azepan-1-yl)piperidin-1-yl]quinoline?
The IUPAC name of 2-[3-(azepan-1-yl)piperidin-1-yl]quinoline (CID 133454492) is 2-[3-(azepan-1-yl)piperidin-1-yl]quinoline.
What is the SMILES notation for 2-[3-(azepan-1-yl)piperidin-1-yl]quinoline?
The canonical SMILES for 2-[3-(azepan-1-yl)piperidin-1-yl]quinoline is c1ccc2nc(N3CCCC(N4CCCCCC4)C3)ccc2c1.
What is the InChIKey of 2-[3-(azepan-1-yl)piperidin-1-yl]quinoline?
The InChIKey is ACEGIJIPKFOSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3/c1-2-6-14-22(13-5-1)18-9-7-15-23(16-18)20-12-11-17-8-3-4-10-19(17)21-20/h3-4,8,10-12,18H,1-2,5-7,9,13-16H2.
What are the key properties of 2-[3-(azepan-1-yl)piperidin-1-yl]quinoline?
2-[3-(azepan-1-yl)piperidin-1-yl]quinoline has a molecular weight of 309.46 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(azepan-1-yl)piperidin-1-yl]quinoline is sourced from PubChem (CID 133454492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).