2-(4-hydroxypiperidin-1-yl)-8-methylquinoline-3-carbonitrile

C16H17N3O — CID 1454284

IUPAC2-(4-hydroxypiperidin-1-yl)-8-methylquinoline-3-carbonitrile
SMILESCc1cccc2cc(C#N)c(N3CCC(O)CC3)nc12
InChIInChI=1S/C16H17N3O/c1-11-3-2-4-12-9-13(10-17)16(18-15(11)12)19-7-5-14(20)6-8-19/h2-4,9,14,20H,5-8H2,1H3
InChIKeyFCXBCGRSNANRRG-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.38
Rot. Bonds1

About 2-(4-hydroxypiperidin-1-yl)-8-methylquinoline-3-carbonitrile

2-(4-hydroxypiperidin-1-yl)-8-methylquinoline-3-carbonitrile (PubChem CID 1454284) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-(4-hydroxypiperidin-1-yl)-8-methylquinoline-3-carbonitrile.

Molecular Properties

Compound Name2-(4-hydroxypiperidin-1-yl)-8-methylquinoline-3-carbonitrile
PubChem CID1454284
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name2-(4-hydroxypiperidin-1-yl)-8-methylquinoline-3-carbonitrile
SMILESCc1cccc2cc(C#N)c(N3CCC(O)CC3)nc12
InChIInChI=1S/C16H17N3O/c1-11-3-2-4-12-9-13(10-17)16(18-15(11)12)19-7-5-14(20)6-8-19/h2-4,9,14,20H,5-8H2,1H3
InChIKeyFCXBCGRSNANRRG-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-Methyl-2-morpholinoquinoline-3-carbonitrile
CID 865258
6,8-Dimethyl-2-morpholin-4-yl-quinoline-3-carbonitrile
CID 865268
2-(2-Morpholin-4-yl-quinolin-3-ylmethylene)-malononitrile
CID 921753
2,6-Dimethyl-4-(4-methylquinolin-2-yl)morpholine
CID 5070263
4-Methyl-2-morpholinoquinoline
CID 812365
3-[6-(4-Hydroxy-piperidin-1-yl)-[1,7]naphthyridin-8-yl]-benzonitrile
CID 9973904
2-(4-Cyclopropyl-piperazin-1-yl)-quinoline-6-carbonitrile
CID 11256632
2-Morpholin-4-yl-quinoline-4-carbonitrile
CID 764701
6-Ethyl-2-(4-methyl-piperazin-1-yl)-quinoline-3-carbonitrile
CID 650739
6-Methyl-2-(4-methyl-piperazin-1-yl)-quinoline-3-carbonitrile
CID 654577
3-((3-Hydroxypropyl)amino)-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
CID 658238
7-Methyl-2-(4-methyl-piperazin-1-yl)-quinoline-3-carbonitrile
CID 865680

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxypiperidin-1-yl)-8-methylquinoline-3-carbonitrile?
The IUPAC name of 2-(4-hydroxypiperidin-1-yl)-8-methylquinoline-3-carbonitrile (CID 1454284) is 2-(4-hydroxypiperidin-1-yl)-8-methylquinoline-3-carbonitrile.
What is the SMILES notation for 2-(4-hydroxypiperidin-1-yl)-8-methylquinoline-3-carbonitrile?
The canonical SMILES for 2-(4-hydroxypiperidin-1-yl)-8-methylquinoline-3-carbonitrile is Cc1cccc2cc(C#N)c(N3CCC(O)CC3)nc12.
What is the InChIKey of 2-(4-hydroxypiperidin-1-yl)-8-methylquinoline-3-carbonitrile?
The InChIKey is FCXBCGRSNANRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-11-3-2-4-12-9-13(10-17)16(18-15(11)12)19-7-5-14(20)6-8-19/h2-4,9,14,20H,5-8H2,1H3.
What are the key properties of 2-(4-hydroxypiperidin-1-yl)-8-methylquinoline-3-carbonitrile?
2-(4-hydroxypiperidin-1-yl)-8-methylquinoline-3-carbonitrile has a molecular weight of 267.33 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxypiperidin-1-yl)-8-methylquinoline-3-carbonitrile is sourced from PubChem (CID 1454284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).