[1-[(5-fluoro-2-methylphenyl)methyl]piperidin-3-yl]methanol

C14H20FNO — CID 115970131

IUPAC[1-[(5-fluoro-2-methylphenyl)methyl]piperidin-3-yl]methanol
SMILESCc1ccc(F)cc1CN1CCCC(CO)C1
InChIInChI=1S/C14H20FNO/c1-11-4-5-14(15)7-13(11)9-16-6-2-3-12(8-16)10-17/h4-5,7,12,17H,2-3,6,8-10H2,1H3
InChIKeyLRSPFEDSLYMHRD-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.34
Rot. Bonds3

About [1-[(5-fluoro-2-methylphenyl)methyl]piperidin-3-yl]methanol

[1-[(5-fluoro-2-methylphenyl)methyl]piperidin-3-yl]methanol (PubChem CID 115970131) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is [1-[(5-fluoro-2-methylphenyl)methyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[(5-fluoro-2-methylphenyl)methyl]piperidin-3-yl]methanol
PubChem CID115970131
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name[1-[(5-fluoro-2-methylphenyl)methyl]piperidin-3-yl]methanol
SMILESCc1ccc(F)cc1CN1CCCC(CO)C1
InChIInChI=1S/C14H20FNO/c1-11-4-5-14(15)7-13(11)9-16-6-2-3-12(8-16)10-17/h4-5,7,12,17H,2-3,6,8-10H2,1H3
InChIKeyLRSPFEDSLYMHRD-UHFFFAOYSA-N
XLogP2.34
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[(5-fluoro-2-methylphenyl)methyl]piperidin-3-yl]-N-methylmethanamine
CID 113499435
(3S)-1-[(5-fluoro-2-methylphenyl)methyl]pyrrolidin-3-amine
CID 24904987
[1-[(4-bromo-2-fluorophenyl)methyl]piperidin-3-yl]methanol
CID 60644953
3-cyclopropyl-1-[(5-fluoro-2-methylphenyl)methyl]-1,4-diazepane
CID 105375757
[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-3-yl]methanol
CID 115879487
(3S)-1-[(4-fluoro-2-methylphenyl)methyl]piperidin-3-amine
CID 24904859
[1-[[5-(aminomethyl)-2-fluorophenyl]methyl]piperidin-3-yl]methanol
CID 43590160
N-[[1-[(2-chloro-5-fluorophenyl)methyl]piperidin-3-yl]methyl]ethanamine
CID 102616382
N-[[1-[(2,4-difluorophenyl)methyl]piperidin-3-yl]methyl]propan-1-amine
CID 62581870
(3S)-1-[(5-fluoro-2-methylphenyl)methyl]-3-methylpiperazine
CID 103947576
1-[(5-fluoro-2-methylphenyl)methyl]piperazine
CID 22975139
4-fluoro-3-[[3-(hydroxymethyl)piperidin-1-yl]methyl]benzonitrile
CID 43403794

Frequently Asked Questions

What is the IUPAC name of [1-[(5-fluoro-2-methylphenyl)methyl]piperidin-3-yl]methanol?
The IUPAC name of [1-[(5-fluoro-2-methylphenyl)methyl]piperidin-3-yl]methanol (CID 115970131) is [1-[(5-fluoro-2-methylphenyl)methyl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[(5-fluoro-2-methylphenyl)methyl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[(5-fluoro-2-methylphenyl)methyl]piperidin-3-yl]methanol is Cc1ccc(F)cc1CN1CCCC(CO)C1.
What is the InChIKey of [1-[(5-fluoro-2-methylphenyl)methyl]piperidin-3-yl]methanol?
The InChIKey is LRSPFEDSLYMHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-11-4-5-14(15)7-13(11)9-16-6-2-3-12(8-16)10-17/h4-5,7,12,17H,2-3,6,8-10H2,1H3.
What are the key properties of [1-[(5-fluoro-2-methylphenyl)methyl]piperidin-3-yl]methanol?
[1-[(5-fluoro-2-methylphenyl)methyl]piperidin-3-yl]methanol has a molecular weight of 237.32 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-fluoro-2-methylphenyl)methyl]piperidin-3-yl]methanol is sourced from PubChem (CID 115970131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).