1-(4-fluoro-2-methylphenyl)-2-methyl-3-piperidin-2-ylpropan-2-ol

C16H24FNO — CID 114347033

IUPAC1-(4-fluoro-2-methylphenyl)-2-methyl-3-piperidin-2-ylpropan-2-ol
SMILESCc1cc(F)ccc1CC(C)(O)CC1CCCCN1
InChIInChI=1S/C16H24FNO/c1-12-9-14(17)7-6-13(12)10-16(2,19)11-15-5-3-4-8-18-15/h6-7,9,15,18-19H,3-5,8,10-11H2,1-2H3
InChIKeyINOBNISOYAHWMI-UHFFFAOYSA-N
MW265.37 g/mol
LogP2.96
Rot. Bonds4

About 1-(4-fluoro-2-methylphenyl)-2-methyl-3-piperidin-2-ylpropan-2-ol

1-(4-fluoro-2-methylphenyl)-2-methyl-3-piperidin-2-ylpropan-2-ol (PubChem CID 114347033) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)-2-methyl-3-piperidin-2-ylpropan-2-ol.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)-2-methyl-3-piperidin-2-ylpropan-2-ol
PubChem CID114347033
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC Name1-(4-fluoro-2-methylphenyl)-2-methyl-3-piperidin-2-ylpropan-2-ol
SMILESCc1cc(F)ccc1CC(C)(O)CC1CCCCN1
InChIInChI=1S/C16H24FNO/c1-12-9-14(17)7-6-13(12)10-16(2,19)11-15-5-3-4-8-18-15/h6-7,9,15,18-19H,3-5,8,10-11H2,1-2H3
InChIKeyINOBNISOYAHWMI-UHFFFAOYSA-N
XLogP2.96
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-fluoro-3-(4-fluoro-2-methylphenyl)-2-methylpropyl]piperidine
CID 114350316
1-amino-3-(4-fluoro-2-methylphenyl)-2-methylpropan-2-ol
CID 114346991
2-[2-methyl-4-(trifluoromethyl)phenyl]-1-piperidin-2-ylpropan-2-ol
CID 102751951
2-[2-(2,4-difluorophenyl)-2,2-difluoroethyl]piperidine
CID 116840282
2-(3-chloro-4-methylphenyl)-1-piperidin-2-ylpropan-2-ol
CID 107559678
2-[3-(3,5-difluorophenyl)-2-fluoro-2-methylpropyl]piperidine
CID 105411766
5-fluoro-2-methyl-N-(piperidin-2-ylmethyl)benzamide
CID 55182007
2-[2-fluoro-2-(2-fluoro-4,6-dimethylphenyl)propyl]piperidine
CID 106882953
(2S)-2-(4-fluoro-2-methylphenyl)piperidine
CID 55278633
1-(4-fluoro-2-methylphenyl)-2-methylpropan-2-amine
CID 22063499
1-(3-chloro-2-cyclopropyl-2-methylpropyl)-4-fluoro-2-methylbenzene
CID 114349943
[5-fluoro-2-(pyrrolidin-2-ylmethyl)phenyl]methanol
CID 145138522

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)-2-methyl-3-piperidin-2-ylpropan-2-ol?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)-2-methyl-3-piperidin-2-ylpropan-2-ol (CID 114347033) is 1-(4-fluoro-2-methylphenyl)-2-methyl-3-piperidin-2-ylpropan-2-ol.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)-2-methyl-3-piperidin-2-ylpropan-2-ol?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)-2-methyl-3-piperidin-2-ylpropan-2-ol is Cc1cc(F)ccc1CC(C)(O)CC1CCCCN1.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)-2-methyl-3-piperidin-2-ylpropan-2-ol?
The InChIKey is INOBNISOYAHWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-12-9-14(17)7-6-13(12)10-16(2,19)11-15-5-3-4-8-18-15/h6-7,9,15,18-19H,3-5,8,10-11H2,1-2H3.
What are the key properties of 1-(4-fluoro-2-methylphenyl)-2-methyl-3-piperidin-2-ylpropan-2-ol?
1-(4-fluoro-2-methylphenyl)-2-methyl-3-piperidin-2-ylpropan-2-ol has a molecular weight of 265.37 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylphenyl)-2-methyl-3-piperidin-2-ylpropan-2-ol is sourced from PubChem (CID 114347033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).