[(3S,4R)-4-(4-fluorophenyl)-1-methylpiperidin-3-yl]methanol

C13H18FNO — CID 2734218

IUPAC[(3S,4R)-4-(4-fluorophenyl)-1-methylpiperidin-3-yl]methanol
SMILESCN1CC[C@@H](c2ccc(F)cc2)[C@H](CO)C1
InChIInChI=1S/C13H18FNO/c1-15-7-6-13(11(8-15)9-16)10-2-4-12(14)5-3-10/h2-5,11,13,16H,6-9H2,1H3/t11-,13-/m0/s1
InChIKeyCXRHUYYZISIIMT-AAEUAGOBSA-N
MW223.29 g/mol
LogP1.85
Rot. Bonds2

About [(3S,4R)-4-(4-fluorophenyl)-1-methylpiperidin-3-yl]methanol

[(3S,4R)-4-(4-fluorophenyl)-1-methylpiperidin-3-yl]methanol (PubChem CID 2734218) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is [(3S,4R)-4-(4-fluorophenyl)-1-methylpiperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S,4R)-4-(4-fluorophenyl)-1-methylpiperidin-3-yl]methanol
PubChem CID2734218
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name[(3S,4R)-4-(4-fluorophenyl)-1-methylpiperidin-3-yl]methanol
SMILESCN1CC[C@@H](c2ccc(F)cc2)[C@H](CO)C1
InChIInChI=1S/C13H18FNO/c1-15-7-6-13(11(8-15)9-16)10-2-4-12(14)5-3-10/h2-5,11,13,16H,6-9H2,1H3/t11-,13-/m0/s1
InChIKeyCXRHUYYZISIIMT-AAEUAGOBSA-N
XLogP1.85
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Piperidinium, 1-(3-hydroxy-5-methyl-4-phenylhexyl)-1-methyl-, bromide (1:1)
CID 10619
1-(2-Phenylpropyl)piperidin-4-ol
CID 2846178
[(3R,4S)-4-(4-Chlorophenyl)-1-methylpiperidin-3-YL]methanol
CID 10657648
4-(4-Fluorophenyl)-3-hydroxymethyl-1-methylpiperidine
CID 10176880
2-[(4-tert-Butylphenyl)methyl]-3-piperidin-1-ylpropan-1-ol
CID 139594270
2-Methyl-2-[4-(2-methyl-3-piperidin-1-ylpropyl)phenyl]propan-1-ol
CID 139596448
(+/-)-threo-N-(4-Phenylbutyl)ritalinol
CID 52941366
(+/-)-threo-N-(3-Phenylpropyl)ritalinol
CID 52945256
(+/-)-threo-3-Fluororitalinol
CID 52947218
(3-Benzyl-1-cyclopentylpiperidin-3-yl)methanol
CID 16188206
{3-benzyl-1-[(2E)-2-methylbut-2-en-1-yl]piperidin-3-yl}methanol
CID 16188287
{3-(2-Fluorobenzyl)-1-[3-(methylthio)propyl]piperidin-3-yl}methanol
CID 23723791

Frequently Asked Questions

What is the IUPAC name of [(3S,4R)-4-(4-fluorophenyl)-1-methylpiperidin-3-yl]methanol?
The IUPAC name of [(3S,4R)-4-(4-fluorophenyl)-1-methylpiperidin-3-yl]methanol (CID 2734218) is [(3S,4R)-4-(4-fluorophenyl)-1-methylpiperidin-3-yl]methanol.
What is the SMILES notation for [(3S,4R)-4-(4-fluorophenyl)-1-methylpiperidin-3-yl]methanol?
The canonical SMILES for [(3S,4R)-4-(4-fluorophenyl)-1-methylpiperidin-3-yl]methanol is CN1CC[C@@H](c2ccc(F)cc2)[C@H](CO)C1.
What is the InChIKey of [(3S,4R)-4-(4-fluorophenyl)-1-methylpiperidin-3-yl]methanol?
The InChIKey is CXRHUYYZISIIMT-AAEUAGOBSA-N. The full InChI is InChI=1S/C13H18FNO/c1-15-7-6-13(11(8-15)9-16)10-2-4-12(14)5-3-10/h2-5,11,13,16H,6-9H2,1H3/t11-,13-/m0/s1.
What are the key properties of [(3S,4R)-4-(4-fluorophenyl)-1-methylpiperidin-3-yl]methanol?
[(3S,4R)-4-(4-fluorophenyl)-1-methylpiperidin-3-yl]methanol has a molecular weight of 223.29 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4R)-4-(4-fluorophenyl)-1-methylpiperidin-3-yl]methanol is sourced from PubChem (CID 2734218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).