3-(4-pyrazol-1-ylpiperidin-1-yl)quinoline

C17H18N4 — CID 110454729

IUPAC3-(4-pyrazol-1-ylpiperidin-1-yl)quinoline
SMILESc1ccc2ncc(N3CCC(n4cccn4)CC3)cc2c1
InChIInChI=1S/C17H18N4/c1-2-5-17-14(4-1)12-16(13-18-17)20-10-6-15(7-11-20)21-9-3-8-19-21/h1-5,8-9,12-13,15H,6-7,10-11H2
InChIKeyAHZFAQKIJYZOJV-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.27
Rot. Bonds2

About 3-(4-pyrazol-1-ylpiperidin-1-yl)quinoline

3-(4-pyrazol-1-ylpiperidin-1-yl)quinoline (PubChem CID 110454729) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is 3-(4-pyrazol-1-ylpiperidin-1-yl)quinoline.

Molecular Properties

Compound Name3-(4-pyrazol-1-ylpiperidin-1-yl)quinoline
PubChem CID110454729
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC Name3-(4-pyrazol-1-ylpiperidin-1-yl)quinoline
SMILESc1ccc2ncc(N3CCC(n4cccn4)CC3)cc2c1
InChIInChI=1S/C17H18N4/c1-2-5-17-14(4-1)12-16(13-18-17)20-10-6-15(7-11-20)21-9-3-8-19-21/h1-5,8-9,12-13,15H,6-7,10-11H2
InChIKeyAHZFAQKIJYZOJV-UHFFFAOYSA-N
XLogP3.27
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-piperazin-1-ylquinoline;dihydrochloride
CID 54593446
3-(4,4-difluoropiperidin-1-yl)quinoline
CID 144553377
4-quinolin-3-ylpiperazine-1-carboxylic acid
CID 69402111
3-(4-phenylpiperazin-1-yl)quinolin-6-ol
CID 89443600
4-methyl-2-(3-pyrazol-1-ylpyrrolidin-1-yl)quinoline
CID 126946631
2,6-dimethyl-4-quinolin-3-ylmorpholine
CID 135233182
2-methyl-4-(3-pyrazol-1-ylpyrrolidin-1-yl)pyridine
CID 126946437
N-[(1-quinolin-3-ylpyrrolidin-3-yl)methyl]propan-1-amine
CID 62783429
N-(2,7-naphthyridin-4-yl)-1-quinolin-3-ylpiperidine-4-carboxamide
CID 58653171
3-(6-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl)quinoline
CID 142421658
3-[4-(2-phenylethyl)piperazin-1-yl]quinoline
CID 174498019
1-(2-chlorophenyl)sulfonyl-4-pyrazol-1-ylpiperidine
CID 110871238

Frequently Asked Questions

What is the IUPAC name of 3-(4-pyrazol-1-ylpiperidin-1-yl)quinoline?
The IUPAC name of 3-(4-pyrazol-1-ylpiperidin-1-yl)quinoline (CID 110454729) is 3-(4-pyrazol-1-ylpiperidin-1-yl)quinoline.
What is the SMILES notation for 3-(4-pyrazol-1-ylpiperidin-1-yl)quinoline?
The canonical SMILES for 3-(4-pyrazol-1-ylpiperidin-1-yl)quinoline is c1ccc2ncc(N3CCC(n4cccn4)CC3)cc2c1.
What is the InChIKey of 3-(4-pyrazol-1-ylpiperidin-1-yl)quinoline?
The InChIKey is AHZFAQKIJYZOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c1-2-5-17-14(4-1)12-16(13-18-17)20-10-6-15(7-11-20)21-9-3-8-19-21/h1-5,8-9,12-13,15H,6-7,10-11H2.
What are the key properties of 3-(4-pyrazol-1-ylpiperidin-1-yl)quinoline?
3-(4-pyrazol-1-ylpiperidin-1-yl)quinoline has a molecular weight of 278.36 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-pyrazol-1-ylpiperidin-1-yl)quinoline is sourced from PubChem (CID 110454729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).