1-(4-fluoro-2-methylphenyl)piperidine;methanol

C13H20FNO — CID 159526986

IUPAC1-(4-fluoro-2-methylphenyl)piperidine;methanol
SMILESCO.Cc1cc(F)ccc1N1CCCCC1
InChIInChI=1S/C12H16FN.CH4O/c1-10-9-11(13)5-6-12(10)14-7-3-2-4-8-14;1-2/h5-6,9H,2-4,7-8H2,1H3;2H,1H3
InChIKeyMCMYMVPKTXDGPW-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.73
Rot. Bonds1

About 1-(4-fluoro-2-methylphenyl)piperidine;methanol

1-(4-fluoro-2-methylphenyl)piperidine;methanol (PubChem CID 159526986) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)piperidine;methanol.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)piperidine;methanol
PubChem CID159526986
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC Name1-(4-fluoro-2-methylphenyl)piperidine;methanol
SMILESCO.Cc1cc(F)ccc1N1CCCCC1
InChIInChI=1S/C12H16FN.CH4O/c1-10-9-11(13)5-6-12(10)14-7-3-2-4-8-14;1-2/h5-6,9H,2-4,7-8H2,1H3;2H,1H3
InChIKeyMCMYMVPKTXDGPW-UHFFFAOYSA-N
XLogP2.73
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-4-fluorophenyl)piperidine
CID 174904360
(4-fluoro-2-pyrrolidin-1-ylphenyl)boronic acid
CID 147882960
methyl 1-(4-fluoro-2-methylphenyl)piperidine-4-carboxylate
CID 143163523
1-(4-fluoro-2-methylphenyl)piperidin-3-amine
CID 54594111
1-(4-bromo-2-methylphenyl)piperidine
CID 66800775
2-(azocan-1-yl)-5-fluoroaniline
CID 28799703
2-(azepan-1-yl)-5-fluoroaniline
CID 6485407
5-fluoro-2-piperidin-1-ylaniline
CID 6485403
1-(2,5-difluorophenyl)piperidine
CID 22638080
1-(5-fluoro-2-pyrrolidin-1-ylphenyl)ethanamine
CID 43188715
2-(azocan-1-yl)-5-fluorobenzenecarbothioamide
CID 63675049
1-(2,3-difluoro-4-methylphenyl)pyrrolidine
CID 168515209

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)piperidine;methanol?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)piperidine;methanol (CID 159526986) is 1-(4-fluoro-2-methylphenyl)piperidine;methanol.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)piperidine;methanol?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)piperidine;methanol is CO.Cc1cc(F)ccc1N1CCCCC1.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)piperidine;methanol?
The InChIKey is MCMYMVPKTXDGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN.CH4O/c1-10-9-11(13)5-6-12(10)14-7-3-2-4-8-14;1-2/h5-6,9H,2-4,7-8H2,1H3;2H,1H3.
What are the key properties of 1-(4-fluoro-2-methylphenyl)piperidine;methanol?
1-(4-fluoro-2-methylphenyl)piperidine;methanol has a molecular weight of 225.31 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylphenyl)piperidine;methanol is sourced from PubChem (CID 159526986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).