[3-[(4-fluoro-2-methylphenyl)methyl]piperidin-3-yl]methanol

C14H20FNO — CID 114349812

IUPAC[3-[(4-fluoro-2-methylphenyl)methyl]piperidin-3-yl]methanol
SMILESCc1cc(F)ccc1CC1(CO)CCCNC1
InChIInChI=1S/C14H20FNO/c1-11-7-13(15)4-3-12(11)8-14(10-17)5-2-6-16-9-14/h3-4,7,16-17H,2,5-6,8-10H2,1H3
InChIKeyRAGGXYQZEDNLQO-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.04
Rot. Bonds3

About [3-[(4-fluoro-2-methylphenyl)methyl]piperidin-3-yl]methanol

[3-[(4-fluoro-2-methylphenyl)methyl]piperidin-3-yl]methanol (PubChem CID 114349812) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is [3-[(4-fluoro-2-methylphenyl)methyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[3-[(4-fluoro-2-methylphenyl)methyl]piperidin-3-yl]methanol
PubChem CID114349812
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name[3-[(4-fluoro-2-methylphenyl)methyl]piperidin-3-yl]methanol
SMILESCc1cc(F)ccc1CC1(CO)CCCNC1
InChIInChI=1S/C14H20FNO/c1-11-7-13(15)4-3-12(11)8-14(10-17)5-2-6-16-9-14/h3-4,7,16-17H,2,5-6,8-10H2,1H3
InChIKeyRAGGXYQZEDNLQO-UHFFFAOYSA-N
XLogP2.04
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[3-[(2,4-difluorophenyl)methyl]piperidin-3-yl]methanol
CID 56753257
[3-[(2,4-difluorophenyl)methyl]piperidin-3-yl]methanol;hydrochloride
CID 154892250
[3-[(5-chloro-2-fluorophenyl)methyl]piperidin-3-yl]methanol
CID 103051183
[3-[(3,4-dimethylphenyl)methyl]piperidin-3-yl]methanol
CID 66060227
[1-[[(4-fluoro-2-methylphenyl)methylamino]methyl]cyclohexyl]methanol
CID 112697662
[3-[(2-methoxy-5-methylphenyl)methyl]piperidin-3-yl]methanol
CID 66060007
2-(4-fluoro-2-methylphenyl)-1-(3-propylpiperidin-3-yl)ethanone
CID 114350405
1-[(4-fluoro-2-methylphenyl)methyl]-2-methylcyclohexan-1-ol
CID 114346704
[1-[[2-(4-fluoro-2-methylphenyl)ethylamino]methyl]cyclohexyl]methanol
CID 81418469
3-[(4-fluoro-2-methylphenyl)methyl]-3-(4-fluorophenyl)azetidine
CID 114350031
[3-[(4-tert-butylphenyl)methyl]piperidin-3-yl]methanol
CID 66059792
[1-[(4-fluoro-2-methylphenyl)methyl]-4,4-dimethylcyclohexyl]methanamine
CID 114349742

Frequently Asked Questions

What is the IUPAC name of [3-[(4-fluoro-2-methylphenyl)methyl]piperidin-3-yl]methanol?
The IUPAC name of [3-[(4-fluoro-2-methylphenyl)methyl]piperidin-3-yl]methanol (CID 114349812) is [3-[(4-fluoro-2-methylphenyl)methyl]piperidin-3-yl]methanol.
What is the SMILES notation for [3-[(4-fluoro-2-methylphenyl)methyl]piperidin-3-yl]methanol?
The canonical SMILES for [3-[(4-fluoro-2-methylphenyl)methyl]piperidin-3-yl]methanol is Cc1cc(F)ccc1CC1(CO)CCCNC1.
What is the InChIKey of [3-[(4-fluoro-2-methylphenyl)methyl]piperidin-3-yl]methanol?
The InChIKey is RAGGXYQZEDNLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-11-7-13(15)4-3-12(11)8-14(10-17)5-2-6-16-9-14/h3-4,7,16-17H,2,5-6,8-10H2,1H3.
What are the key properties of [3-[(4-fluoro-2-methylphenyl)methyl]piperidin-3-yl]methanol?
[3-[(4-fluoro-2-methylphenyl)methyl]piperidin-3-yl]methanol has a molecular weight of 237.32 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-fluoro-2-methylphenyl)methyl]piperidin-3-yl]methanol is sourced from PubChem (CID 114349812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).