(2S,3R)-1-[(3-fluoro-4-pyridinyl)methyl]-2-methylpiperidin-3-ol

C12H17FN2O — CID 129349343

IUPAC(2S,3R)-1-[(3-fluoro-4-pyridinyl)methyl]-2-methylpiperidin-3-ol
SMILESC[C@H]1[C@H](O)CCCN1Cc1ccncc1F
InChIInChI=1S/C12H17FN2O/c1-9-12(16)3-2-6-15(9)8-10-4-5-14-7-11(10)13/h4-5,7,9,12,16H,2-3,6,8H2,1H3/t9-,12+/m0/s1
InChIKeyTTXBNQREWZQEKK-JOYOIKCWSA-N
MW224.28 g/mol
LogP1.57
Rot. Bonds2

About (2S,3R)-1-[(3-fluoro-4-pyridinyl)methyl]-2-methylpiperidin-3-ol

(2S,3R)-1-[(3-fluoro-4-pyridinyl)methyl]-2-methylpiperidin-3-ol (PubChem CID 129349343) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is (2S,3R)-1-[(3-fluoro-4-pyridinyl)methyl]-2-methylpiperidin-3-ol.

Molecular Properties

Compound Name(2S,3R)-1-[(3-fluoro-4-pyridinyl)methyl]-2-methylpiperidin-3-ol
PubChem CID129349343
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name(2S,3R)-1-[(3-fluoro-4-pyridinyl)methyl]-2-methylpiperidin-3-ol
SMILESC[C@H]1[C@H](O)CCCN1Cc1ccncc1F
InChIInChI=1S/C12H17FN2O/c1-9-12(16)3-2-6-15(9)8-10-4-5-14-7-11(10)13/h4-5,7,9,12,16H,2-3,6,8H2,1H3/t9-,12+/m0/s1
InChIKeyTTXBNQREWZQEKK-JOYOIKCWSA-N
XLogP1.57
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-(1,3-thiazol-5-ylmethyl)piperidin-3-ol
CID 131019864
(1S,4S)-2-[(3-fluoro-4-pyridinyl)methyl]-2-azabicyclo[2.2.1]heptane
CID 129349340
1-ethyl-4-[(3-fluoro-4-pyridinyl)methyl]piperazine
CID 126759788
2-[1-[(3-chloro-4-pyridinyl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol
CID 114339522
4-[(3-hydroxy-2-methylpiperidin-1-yl)methyl]-2H-isoquinolin-1-one
CID 166265323
(3R)-1-[(3-fluoro-4-pyridinyl)methyl]-3-methylpiperidin-4-one
CID 129348532
6-[4-[(3-fluoro-4-pyridinyl)methyl]-3-methylpiperazin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 163351966
5-[[4-[(3-fluoro-4-pyridinyl)methyl]-3-methylpiperazin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole
CID 163350140
3-[(3-bromo-2-methylpiperidin-1-yl)methyl]pyridine
CID 130756994
2-[4-[(3-fluoro-4-pyridinyl)methyl]-3-methylpiperazin-1-yl]-1,3-benzoxazole
CID 163350522
2-[(2R)-1-[(2,4-difluorophenyl)methyl]pyrrolidin-2-yl]pyrazine
CID 124941847
3-[(2,3-dimethylpiperidin-1-yl)methyl]-4-fluorobenzoic acid
CID 63067272

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-1-[(3-fluoro-4-pyridinyl)methyl]-2-methylpiperidin-3-ol?
The IUPAC name of (2S,3R)-1-[(3-fluoro-4-pyridinyl)methyl]-2-methylpiperidin-3-ol (CID 129349343) is (2S,3R)-1-[(3-fluoro-4-pyridinyl)methyl]-2-methylpiperidin-3-ol.
What is the SMILES notation for (2S,3R)-1-[(3-fluoro-4-pyridinyl)methyl]-2-methylpiperidin-3-ol?
The canonical SMILES for (2S,3R)-1-[(3-fluoro-4-pyridinyl)methyl]-2-methylpiperidin-3-ol is C[C@H]1[C@H](O)CCCN1Cc1ccncc1F.
What is the InChIKey of (2S,3R)-1-[(3-fluoro-4-pyridinyl)methyl]-2-methylpiperidin-3-ol?
The InChIKey is TTXBNQREWZQEKK-JOYOIKCWSA-N. The full InChI is InChI=1S/C12H17FN2O/c1-9-12(16)3-2-6-15(9)8-10-4-5-14-7-11(10)13/h4-5,7,9,12,16H,2-3,6,8H2,1H3/t9-,12+/m0/s1.
What are the key properties of (2S,3R)-1-[(3-fluoro-4-pyridinyl)methyl]-2-methylpiperidin-3-ol?
(2S,3R)-1-[(3-fluoro-4-pyridinyl)methyl]-2-methylpiperidin-3-ol has a molecular weight of 224.28 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-1-[(3-fluoro-4-pyridinyl)methyl]-2-methylpiperidin-3-ol is sourced from PubChem (CID 129349343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).