(2S)-1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]propan-2-ol

C13H20N2O — CID 6540981

IUPAC(2S)-1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]propan-2-ol
SMILESC[C@H](O)CN1CCCC[C@H]1c1cccnc1
InChIInChI=1S/C13H20N2O/c1-11(16)10-15-8-3-2-6-13(15)12-5-4-7-14-9-12/h4-5,7,9,11,13,16H,2-3,6,8,10H2,1H3/t11-,13-/m0/s1
InChIKeyVAZXXAVHCHRHJJ-AAEUAGOBSA-N
MW220.32 g/mol
LogP1.99
Rot. Bonds3

About (2S)-1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]propan-2-ol

(2S)-1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]propan-2-ol (PubChem CID 6540981) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is (2S)-1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]propan-2-ol
PubChem CID6540981
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name(2S)-1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]propan-2-ol
SMILESC[C@H](O)CN1CCCC[C@H]1c1cccnc1
InChIInChI=1S/C13H20N2O/c1-11(16)10-15-8-3-2-6-13(15)12-5-4-7-14-9-12/h4-5,7,9,11,13,16H,2-3,6,8,10H2,1H3/t11-,13-/m0/s1
InChIKeyVAZXXAVHCHRHJJ-AAEUAGOBSA-N
XLogP1.99
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-pyridin-3-ylpyrrolidin-1-yl)propan-2-ol
CID 67495346
1-(3-aminophenyl)-2-(2-pyridin-3-ylpyrrolidin-1-yl)ethanol
CID 62264751
3-[(2S)-1-[(3S)-3-phenylbutyl]piperidin-2-yl]pyridine
CID 124758484
3-(1-pentylpiperidin-2-yl)pyridine;hydrochloride
CID 171315964
(1S)-1-phenyl-4-[(2R)-2-pyridin-3-ylpiperidin-1-yl]but-2-yn-1-ol
CID 11871008
3-[1-(3,7-dimethylocta-2,6-dienyl)piperidin-2-yl]pyridine
CID 171138074
3-[(2R)-1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-2-yl]pyridine
CID 872916
(4R)-4,7-dimethyl-1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]oct-2-yn-4-ol
CID 7070083
3-[(2S)-1-[(3-chlorophenyl)methyl]piperidin-2-yl]pyridine
CID 872932
3-[(2S)-1-[(4-methoxyphenyl)methyl]piperidin-2-yl]pyridine
CID 872941
2,4-diiodo-6-[(2-pyridin-3-ylpiperidin-1-yl)methyl]phenol
CID 2857406
N-methyl-2-(2-pyridin-3-ylpyrrolidin-1-yl)ethanamine
CID 176918761

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]propan-2-ol?
The IUPAC name of (2S)-1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]propan-2-ol (CID 6540981) is (2S)-1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]propan-2-ol.
What is the SMILES notation for (2S)-1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]propan-2-ol?
The canonical SMILES for (2S)-1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]propan-2-ol is C[C@H](O)CN1CCCC[C@H]1c1cccnc1.
What is the InChIKey of (2S)-1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]propan-2-ol?
The InChIKey is VAZXXAVHCHRHJJ-AAEUAGOBSA-N. The full InChI is InChI=1S/C13H20N2O/c1-11(16)10-15-8-3-2-6-13(15)12-5-4-7-14-9-12/h4-5,7,9,11,13,16H,2-3,6,8,10H2,1H3/t11-,13-/m0/s1.
What are the key properties of (2S)-1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]propan-2-ol?
(2S)-1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]propan-2-ol has a molecular weight of 220.32 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]propan-2-ol is sourced from PubChem (CID 6540981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).