[(3S)-1-[(5-fluoro-3-pyridinyl)methyl]-3-propan-2-ylpiperidin-3-yl]methanol

C15H23FN2O — CID 164642791

IUPAC[(3S)-1-[(5-fluoro-3-pyridinyl)methyl]-3-propan-2-ylpiperidin-3-yl]methanol
SMILESCC(C)[C@@]1(CO)CCCN(Cc2cncc(F)c2)C1
InChIInChI=1S/C15H23FN2O/c1-12(2)15(11-19)4-3-5-18(10-15)9-13-6-14(16)8-17-7-13/h6-8,12,19H,3-5,9-11H2,1-2H3/t15-/m0/s1
InChIKeyWVWCKOVURVUFSQ-HNNXBMFYSA-N
MW266.36 g/mol
LogP2.45
Rot. Bonds4

About [(3S)-1-[(5-fluoro-3-pyridinyl)methyl]-3-propan-2-ylpiperidin-3-yl]methanol

[(3S)-1-[(5-fluoro-3-pyridinyl)methyl]-3-propan-2-ylpiperidin-3-yl]methanol (PubChem CID 164642791) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is [(3S)-1-[(5-fluoro-3-pyridinyl)methyl]-3-propan-2-ylpiperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-1-[(5-fluoro-3-pyridinyl)methyl]-3-propan-2-ylpiperidin-3-yl]methanol
PubChem CID164642791
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name[(3S)-1-[(5-fluoro-3-pyridinyl)methyl]-3-propan-2-ylpiperidin-3-yl]methanol
SMILESCC(C)[C@@]1(CO)CCCN(Cc2cncc(F)c2)C1
InChIInChI=1S/C15H23FN2O/c1-12(2)15(11-19)4-3-5-18(10-15)9-13-6-14(16)8-17-7-13/h6-8,12,19H,3-5,9-11H2,1-2H3/t15-/m0/s1
InChIKeyWVWCKOVURVUFSQ-HNNXBMFYSA-N
XLogP2.45
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3S)-1-[(5-fluoro-3-pyridinyl)methyl]-3-propan-2-ylpiperidin-3-yl]methanol?
The IUPAC name of [(3S)-1-[(5-fluoro-3-pyridinyl)methyl]-3-propan-2-ylpiperidin-3-yl]methanol (CID 164642791) is [(3S)-1-[(5-fluoro-3-pyridinyl)methyl]-3-propan-2-ylpiperidin-3-yl]methanol.
What is the SMILES notation for [(3S)-1-[(5-fluoro-3-pyridinyl)methyl]-3-propan-2-ylpiperidin-3-yl]methanol?
The canonical SMILES for [(3S)-1-[(5-fluoro-3-pyridinyl)methyl]-3-propan-2-ylpiperidin-3-yl]methanol is CC(C)[C@@]1(CO)CCCN(Cc2cncc(F)c2)C1.
What is the InChIKey of [(3S)-1-[(5-fluoro-3-pyridinyl)methyl]-3-propan-2-ylpiperidin-3-yl]methanol?
The InChIKey is WVWCKOVURVUFSQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-12(2)15(11-19)4-3-5-18(10-15)9-13-6-14(16)8-17-7-13/h6-8,12,19H,3-5,9-11H2,1-2H3/t15-/m0/s1.
What are the key properties of [(3S)-1-[(5-fluoro-3-pyridinyl)methyl]-3-propan-2-ylpiperidin-3-yl]methanol?
[(3S)-1-[(5-fluoro-3-pyridinyl)methyl]-3-propan-2-ylpiperidin-3-yl]methanol has a molecular weight of 266.36 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-[(5-fluoro-3-pyridinyl)methyl]-3-propan-2-ylpiperidin-3-yl]methanol is sourced from PubChem (CID 164642791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).