[1-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-3-methylpiperidin-3-yl]methanol

C16H23F2NO3 — CID 84593559

IUPAC[1-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-3-methylpiperidin-3-yl]methanol
SMILESCOc1ccc(OC(F)F)c(CN2CCCC(C)(CO)C2)c1
InChIInChI=1S/C16H23F2NO3/c1-16(11-20)6-3-7-19(10-16)9-12-8-13(21-2)4-5-14(12)22-15(17)18/h4-5,8,15,20H,3,6-7,9-11H2,1-2H3
InChIKeyACDOCDZLVKGBHZ-UHFFFAOYSA-N
MW315.36 g/mol
LogP2.89
Rot. Bonds6

About [1-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-3-methylpiperidin-3-yl]methanol

[1-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-3-methylpiperidin-3-yl]methanol (PubChem CID 84593559) has the molecular formula C16H23F2NO3 and a molecular weight of 315.36 g/mol. Its IUPAC name is [1-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-3-methylpiperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-3-methylpiperidin-3-yl]methanol
PubChem CID84593559
Molecular FormulaC16H23F2NO3
Molecular Weight315.36 g/mol
Exact Mass315.16
IUPAC Name[1-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-3-methylpiperidin-3-yl]methanol
SMILESCOc1ccc(OC(F)F)c(CN2CCCC(C)(CO)C2)c1
InChIInChI=1S/C16H23F2NO3/c1-16(11-20)6-3-7-19(10-16)9-12-8-13(21-2)4-5-14(12)22-15(17)18/h4-5,8,15,20H,3,6-7,9-11H2,1-2H3
InChIKeyACDOCDZLVKGBHZ-UHFFFAOYSA-N
XLogP2.89
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.36
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120771938
(3R)-1-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]pyrrolidine-3-carboxamide
CID 97252909
(3S,4R)-1-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-4-phenylpyrrolidin-3-amine
CID 120770236
[(3S)-3-(cyclopropylmethyl)-1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]methanol
CID 97123129
[(3R)-1-[(2-fluoro-4-methoxyphenyl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol
CID 97116898
[(3R)-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-[(4-fluorophenyl)methyl]piperidin-3-yl]methanol
CID 25488539
[1-[(2,4-dimethoxyphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120781034
[1-[(2-fluoro-4-methoxyphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine
CID 114082076
[1-[(2-chloro-5-methoxyphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine
CID 120967312
2-[[2-(difluoromethoxy)-4-methoxyphenyl]methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120908600
[(3R)-1-[(2,4-dimethoxyphenyl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol
CID 25309995
1-[(2,5-dimethoxyphenyl)methyl]-3,3-dimethylpiperazine
CID 82303802

Frequently Asked Questions

What is the IUPAC name of [1-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-3-methylpiperidin-3-yl]methanol?
The IUPAC name of [1-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-3-methylpiperidin-3-yl]methanol (CID 84593559) is [1-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-3-methylpiperidin-3-yl]methanol.
What is the SMILES notation for [1-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-3-methylpiperidin-3-yl]methanol?
The canonical SMILES for [1-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-3-methylpiperidin-3-yl]methanol is COc1ccc(OC(F)F)c(CN2CCCC(C)(CO)C2)c1.
What is the InChIKey of [1-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-3-methylpiperidin-3-yl]methanol?
The InChIKey is ACDOCDZLVKGBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2NO3/c1-16(11-20)6-3-7-19(10-16)9-12-8-13(21-2)4-5-14(12)22-15(17)18/h4-5,8,15,20H,3,6-7,9-11H2,1-2H3.
What are the key properties of [1-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-3-methylpiperidin-3-yl]methanol?
[1-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-3-methylpiperidin-3-yl]methanol has a molecular weight of 315.36 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-3-methylpiperidin-3-yl]methanol is sourced from PubChem (CID 84593559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).