2-(3-hydroxy-3-methylpiperidin-1-yl)quinoline-4-carbonitrile

C16H17N3O — CID 115871328

IUPAC2-(3-hydroxy-3-methylpiperidin-1-yl)quinoline-4-carbonitrile
SMILESCC1(O)CCCN(c2cc(C#N)c3ccccc3n2)C1
InChIInChI=1S/C16H17N3O/c1-16(20)7-4-8-19(11-16)15-9-12(10-17)13-5-2-3-6-14(13)18-15/h2-3,5-6,9,20H,4,7-8,11H2,1H3
InChIKeyXCHOJEJOWOXGHC-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.46
Rot. Bonds1

About 2-(3-hydroxy-3-methylpiperidin-1-yl)quinoline-4-carbonitrile

2-(3-hydroxy-3-methylpiperidin-1-yl)quinoline-4-carbonitrile (PubChem CID 115871328) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-(3-hydroxy-3-methylpiperidin-1-yl)quinoline-4-carbonitrile.

Molecular Properties

Compound Name2-(3-hydroxy-3-methylpiperidin-1-yl)quinoline-4-carbonitrile
PubChem CID115871328
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name2-(3-hydroxy-3-methylpiperidin-1-yl)quinoline-4-carbonitrile
SMILESCC1(O)CCCN(c2cc(C#N)c3ccccc3n2)C1
InChIInChI=1S/C16H17N3O/c1-16(20)7-4-8-19(11-16)15-9-12(10-17)13-5-2-3-6-14(13)18-15/h2-3,5-6,9,20H,4,7-8,11H2,1H3
InChIKeyXCHOJEJOWOXGHC-UHFFFAOYSA-N
XLogP2.46
TPSA60.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,2-difluoro-5-azaspiro[2.5]octan-5-yl)quinoline-4-carbonitrile
CID 172905698
6-chloro-2-(3-hydroxy-3-methylpyrrolidin-1-yl)quinoline-4-carbonitrile
CID 133410643
2-(4-methyl-1,4-diazepan-1-yl)quinoline-4-carbonitrile
CID 63883709
2-(4-aminopiperidin-1-yl)quinoline-4-carbonitrile
CID 63884859
2-(3-formylpiperidin-1-yl)quinoline-4-carbonitrile
CID 63883511
N-tert-butyl-1-(4-cyanoquinolin-2-yl)piperidine-3-carboxamide
CID 165435188
2-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]quinoline-4-carbonitrile
CID 146074701
2-[4-[4-(dimethylamino)pyrimidin-2-yl]piperazin-1-yl]quinoline-4-carbonitrile
CID 146079981
2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)quinoline-4-carbonitrile
CID 66371449
(3R)-1-(2,6-dimethylpyrimidin-4-yl)-3-methylpiperidin-3-ol
CID 178044915
2-(4-hydroxy-4-methylpiperidin-1-yl)quinoline-4-carboxylic acid
CID 81108049
[2-(4,4-dimethylazepan-1-yl)quinolin-4-yl]methanol
CID 65282785

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-3-methylpiperidin-1-yl)quinoline-4-carbonitrile?
The IUPAC name of 2-(3-hydroxy-3-methylpiperidin-1-yl)quinoline-4-carbonitrile (CID 115871328) is 2-(3-hydroxy-3-methylpiperidin-1-yl)quinoline-4-carbonitrile.
What is the SMILES notation for 2-(3-hydroxy-3-methylpiperidin-1-yl)quinoline-4-carbonitrile?
The canonical SMILES for 2-(3-hydroxy-3-methylpiperidin-1-yl)quinoline-4-carbonitrile is CC1(O)CCCN(c2cc(C#N)c3ccccc3n2)C1.
What is the InChIKey of 2-(3-hydroxy-3-methylpiperidin-1-yl)quinoline-4-carbonitrile?
The InChIKey is XCHOJEJOWOXGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-16(20)7-4-8-19(11-16)15-9-12(10-17)13-5-2-3-6-14(13)18-15/h2-3,5-6,9,20H,4,7-8,11H2,1H3.
What are the key properties of 2-(3-hydroxy-3-methylpiperidin-1-yl)quinoline-4-carbonitrile?
2-(3-hydroxy-3-methylpiperidin-1-yl)quinoline-4-carbonitrile has a molecular weight of 267.33 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-3-methylpiperidin-1-yl)quinoline-4-carbonitrile is sourced from PubChem (CID 115871328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).