[1-[(4-fluoro-3-methylphenyl)methyl]-3-methylpiperidin-3-yl]methanol

C15H22FNO — CID 84593723

IUPAC[1-[(4-fluoro-3-methylphenyl)methyl]-3-methylpiperidin-3-yl]methanol
SMILESCc1cc(CN2CCCC(C)(CO)C2)ccc1F
InChIInChI=1S/C15H22FNO/c1-12-8-13(4-5-14(12)16)9-17-7-3-6-15(2,10-17)11-18/h4-5,8,18H,3,6-7,9-11H2,1-2H3
InChIKeyNCBOPJOPJQZHLW-UHFFFAOYSA-N
MW251.34 g/mol
LogP2.73
Rot. Bonds3

About [1-[(4-fluoro-3-methylphenyl)methyl]-3-methylpiperidin-3-yl]methanol

[1-[(4-fluoro-3-methylphenyl)methyl]-3-methylpiperidin-3-yl]methanol (PubChem CID 84593723) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is [1-[(4-fluoro-3-methylphenyl)methyl]-3-methylpiperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[(4-fluoro-3-methylphenyl)methyl]-3-methylpiperidin-3-yl]methanol
PubChem CID84593723
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name[1-[(4-fluoro-3-methylphenyl)methyl]-3-methylpiperidin-3-yl]methanol
SMILESCc1cc(CN2CCCC(C)(CO)C2)ccc1F
InChIInChI=1S/C15H22FNO/c1-12-8-13(4-5-14(12)16)9-17-7-3-6-15(2,10-17)11-18/h4-5,8,18H,3,6-7,9-11H2,1-2H3
InChIKeyNCBOPJOPJQZHLW-UHFFFAOYSA-N
XLogP2.73
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-[(4-fluoro-3-methylphenyl)methyl]-3-methylpiperidin-3-yl]methanol?
The IUPAC name of [1-[(4-fluoro-3-methylphenyl)methyl]-3-methylpiperidin-3-yl]methanol (CID 84593723) is [1-[(4-fluoro-3-methylphenyl)methyl]-3-methylpiperidin-3-yl]methanol.
What is the SMILES notation for [1-[(4-fluoro-3-methylphenyl)methyl]-3-methylpiperidin-3-yl]methanol?
The canonical SMILES for [1-[(4-fluoro-3-methylphenyl)methyl]-3-methylpiperidin-3-yl]methanol is Cc1cc(CN2CCCC(C)(CO)C2)ccc1F.
What is the InChIKey of [1-[(4-fluoro-3-methylphenyl)methyl]-3-methylpiperidin-3-yl]methanol?
The InChIKey is NCBOPJOPJQZHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-12-8-13(4-5-14(12)16)9-17-7-3-6-15(2,10-17)11-18/h4-5,8,18H,3,6-7,9-11H2,1-2H3.
What are the key properties of [1-[(4-fluoro-3-methylphenyl)methyl]-3-methylpiperidin-3-yl]methanol?
[1-[(4-fluoro-3-methylphenyl)methyl]-3-methylpiperidin-3-yl]methanol has a molecular weight of 251.34 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-fluoro-3-methylphenyl)methyl]-3-methylpiperidin-3-yl]methanol is sourced from PubChem (CID 84593723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).