[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]methanol

C13H18FNO — CID 7047161

IUPAC[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]methanol
SMILESOC[C@H]1CCCN(Cc2ccc(F)cc2)C1
InChIInChI=1S/C13H18FNO/c14-13-5-3-11(4-6-13)8-15-7-1-2-12(9-15)10-16/h3-6,12,16H,1-2,7-10H2/t12-/m0/s1
InChIKeyJWKYWLDINRFVBK-LBPRGKRZSA-N
MW223.29 g/mol
LogP2.03
Rot. Bonds3

About [(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]methanol

[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]methanol (PubChem CID 7047161) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is [(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]methanol
PubChem CID7047161
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]methanol
SMILESOC[C@H]1CCCN(Cc2ccc(F)cc2)C1
InChIInChI=1S/C13H18FNO/c14-13-5-3-11(4-6-13)8-15-7-1-2-12(9-15)10-16/h3-6,12,16H,1-2,7-10H2/t12-/m0/s1
InChIKeyJWKYWLDINRFVBK-LBPRGKRZSA-N
XLogP2.03
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]methanol?
The IUPAC name of [(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]methanol (CID 7047161) is [(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]methanol.
What is the SMILES notation for [(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]methanol?
The canonical SMILES for [(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]methanol is OC[C@H]1CCCN(Cc2ccc(F)cc2)C1.
What is the InChIKey of [(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]methanol?
The InChIKey is JWKYWLDINRFVBK-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H18FNO/c14-13-5-3-11(4-6-13)8-15-7-1-2-12(9-15)10-16/h3-6,12,16H,1-2,7-10H2/t12-/m0/s1.
What are the key properties of [(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]methanol?
[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]methanol has a molecular weight of 223.29 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]methanol is sourced from PubChem (CID 7047161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).