4-[(3S)-3-hydroxypiperidin-1-yl]quinoline-3-carbonitrile

C15H15N3O — CID 107225382

IUPAC4-[(3S)-3-hydroxypiperidin-1-yl]quinoline-3-carbonitrile
SMILESN#Cc1cnc2ccccc2c1N1CCC[C@H](O)C1
InChIInChI=1S/C15H15N3O/c16-8-11-9-17-14-6-2-1-5-13(14)15(11)18-7-3-4-12(19)10-18/h1-2,5-6,9,12,19H,3-4,7,10H2/t12-/m0/s1
InChIKeyCLBHPWOGMOFSKW-LBPRGKRZSA-N
MW253.31 g/mol
LogP2.07
Rot. Bonds1

About 4-[(3S)-3-hydroxypiperidin-1-yl]quinoline-3-carbonitrile

4-[(3S)-3-hydroxypiperidin-1-yl]quinoline-3-carbonitrile (PubChem CID 107225382) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 4-[(3S)-3-hydroxypiperidin-1-yl]quinoline-3-carbonitrile.

Molecular Properties

Compound Name4-[(3S)-3-hydroxypiperidin-1-yl]quinoline-3-carbonitrile
PubChem CID107225382
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name4-[(3S)-3-hydroxypiperidin-1-yl]quinoline-3-carbonitrile
SMILESN#Cc1cnc2ccccc2c1N1CCC[C@H](O)C1
InChIInChI=1S/C15H15N3O/c16-8-11-9-17-14-6-2-1-5-13(14)15(11)18-7-3-4-12(19)10-18/h1-2,5-6,9,12,19H,3-4,7,10H2/t12-/m0/s1
InChIKeyCLBHPWOGMOFSKW-LBPRGKRZSA-N
XLogP2.07
TPSA60.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-3-hydroxypiperidin-1-yl]quinoline-3-carbonitrile?
The IUPAC name of 4-[(3S)-3-hydroxypiperidin-1-yl]quinoline-3-carbonitrile (CID 107225382) is 4-[(3S)-3-hydroxypiperidin-1-yl]quinoline-3-carbonitrile.
What is the SMILES notation for 4-[(3S)-3-hydroxypiperidin-1-yl]quinoline-3-carbonitrile?
The canonical SMILES for 4-[(3S)-3-hydroxypiperidin-1-yl]quinoline-3-carbonitrile is N#Cc1cnc2ccccc2c1N1CCC[C@H](O)C1.
What is the InChIKey of 4-[(3S)-3-hydroxypiperidin-1-yl]quinoline-3-carbonitrile?
The InChIKey is CLBHPWOGMOFSKW-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H15N3O/c16-8-11-9-17-14-6-2-1-5-13(14)15(11)18-7-3-4-12(19)10-18/h1-2,5-6,9,12,19H,3-4,7,10H2/t12-/m0/s1.
What are the key properties of 4-[(3S)-3-hydroxypiperidin-1-yl]quinoline-3-carbonitrile?
4-[(3S)-3-hydroxypiperidin-1-yl]quinoline-3-carbonitrile has a molecular weight of 253.31 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-3-hydroxypiperidin-1-yl]quinoline-3-carbonitrile is sourced from PubChem (CID 107225382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).