[1-[(4-fluoro-2-methylphenyl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol

C17H26FNO2 — CID 72863231

IUPAC[1-[(4-fluoro-2-methylphenyl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol
SMILESCOCCC1(CO)CCCN(Cc2ccc(F)cc2C)C1
InChIInChI=1S/C17H26FNO2/c1-14-10-16(18)5-4-15(14)11-19-8-3-6-17(12-19,13-20)7-9-21-2/h4-5,10,20H,3,6-9,11-13H2,1-2H3
InChIKeyYWHWUPSISKQPBQ-UHFFFAOYSA-N
MW295.40 g/mol
LogP2.75
Rot. Bonds6

About [1-[(4-fluoro-2-methylphenyl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol

[1-[(4-fluoro-2-methylphenyl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol (PubChem CID 72863231) has the molecular formula C17H26FNO2 and a molecular weight of 295.40 g/mol. Its IUPAC name is [1-[(4-fluoro-2-methylphenyl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[(4-fluoro-2-methylphenyl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol
PubChem CID72863231
Molecular FormulaC17H26FNO2
Molecular Weight295.40 g/mol
Exact Mass295.19
IUPAC Name[1-[(4-fluoro-2-methylphenyl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol
SMILESCOCCC1(CO)CCCN(Cc2ccc(F)cc2C)C1
InChIInChI=1S/C17H26FNO2/c1-14-10-16(18)5-4-15(14)11-19-8-3-6-17(12-19,13-20)7-9-21-2/h4-5,10,20H,3,6-9,11-13H2,1-2H3
InChIKeyYWHWUPSISKQPBQ-UHFFFAOYSA-N
XLogP2.75
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S)-1-[(2-chloro-4-fluorophenyl)methyl]-3-(3-methoxypropyl)piperidin-3-yl]methanol
CID 97115465
[(3R)-1-[(2-fluoro-4-methoxyphenyl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol
CID 97116898
[(3R)-3-(2-methoxyethyl)-1-[(6-methyl-1,3-benzodioxol-5-yl)methyl]piperidin-3-yl]methanol
CID 97146559
[(3R)-1-[(2,5-dimethylphenyl)methyl]-3-(3-methoxypropyl)piperidin-3-yl]methanol
CID 97119620
[(3R)-1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol
CID 97125314
[1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol
CID 72874241
[(3S)-1-[(2,5-dimethylphenyl)methyl]-3-(3-methoxypropyl)piperidin-3-yl]methanol
CID 97119619
[1-[(3,4-dichlorophenyl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol
CID 72882518
2-[4-[[(3S)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]methyl]phenyl]acetic acid
CID 97131526
[3-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methanol
CID 72912581
[1-[(2-cyclopentyloxyphenyl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol
CID 72863715
4-[[(3S)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]methyl]benzoic acid
CID 97131766

Frequently Asked Questions

What is the IUPAC name of [1-[(4-fluoro-2-methylphenyl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol?
The IUPAC name of [1-[(4-fluoro-2-methylphenyl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol (CID 72863231) is [1-[(4-fluoro-2-methylphenyl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol.
What is the SMILES notation for [1-[(4-fluoro-2-methylphenyl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol?
The canonical SMILES for [1-[(4-fluoro-2-methylphenyl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol is COCCC1(CO)CCCN(Cc2ccc(F)cc2C)C1.
What is the InChIKey of [1-[(4-fluoro-2-methylphenyl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol?
The InChIKey is YWHWUPSISKQPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO2/c1-14-10-16(18)5-4-15(14)11-19-8-3-6-17(12-19,13-20)7-9-21-2/h4-5,10,20H,3,6-9,11-13H2,1-2H3.
What are the key properties of [1-[(4-fluoro-2-methylphenyl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol?
[1-[(4-fluoro-2-methylphenyl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol has a molecular weight of 295.40 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-fluoro-2-methylphenyl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol is sourced from PubChem (CID 72863231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).