cyclopropyl-[4-(2-fluoro-4-hydroxyphenyl)piperidin-1-yl]methanone

C15H18FNO2 — CID 125474254

IUPACcyclopropyl-[4-(2-fluoro-4-hydroxyphenyl)piperidin-1-yl]methanone
SMILESO=C(C1CC1)N1CCC(c2ccc(O)cc2F)CC1
InChIInChI=1S/C15H18FNO2/c16-14-9-12(18)3-4-13(14)10-5-7-17(8-6-10)15(19)11-1-2-11/h3-4,9-11,18H,1-2,5-8H2
InChIKeyKDYZCLHWDQPHMJ-UHFFFAOYSA-N
MW263.31 g/mol
LogP2.65
Rot. Bonds2

About cyclopropyl-[4-(2-fluoro-4-hydroxyphenyl)piperidin-1-yl]methanone

cyclopropyl-[4-(2-fluoro-4-hydroxyphenyl)piperidin-1-yl]methanone (PubChem CID 125474254) has the molecular formula C15H18FNO2 and a molecular weight of 263.31 g/mol. Its IUPAC name is cyclopropyl-[4-(2-fluoro-4-hydroxyphenyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-(2-fluoro-4-hydroxyphenyl)piperidin-1-yl]methanone
PubChem CID125474254
Molecular FormulaC15H18FNO2
Molecular Weight263.31 g/mol
Exact Mass263.13
IUPAC Namecyclopropyl-[4-(2-fluoro-4-hydroxyphenyl)piperidin-1-yl]methanone
SMILESO=C(C1CC1)N1CCC(c2ccc(O)cc2F)CC1
InChIInChI=1S/C15H18FNO2/c16-14-9-12(18)3-4-13(14)10-5-7-17(8-6-10)15(19)11-1-2-11/h3-4,9-11,18H,1-2,5-8H2
InChIKeyKDYZCLHWDQPHMJ-UHFFFAOYSA-N
XLogP2.65
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-cyclopropyl-3-fluorophenol
CID 83131228
3-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-fluorobenzoic acid;ethane
CID 176579432
[4-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]piperidin-1-yl]-[(1R,3S)-3-hydroxycyclopentyl]methanone
CID 176618480
cyclopropyl-[4-(2,6-difluorophenyl)piperazin-1-yl]methanone
CID 113081215
(2R)-1-[4-(2,4-dihydroxyphenyl)piperidin-1-yl]-2-(4-fluorophenyl)-2-hydroxyethanone
CID 46215888
methyl 5-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-fluorobenzoate
CID 176580481
bis[4-(2-fluorophenyl)piperidin-1-yl]methanone
CID 174617068
4-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120673262
N-(4-chloro-2-fluorophenyl)-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
CID 26410092
cyclobutyl-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]methanone
CID 113087422
cyclopropyl-[4-(3-methoxyphenyl)piperidin-1-yl]methanone
CID 51003388
ethyl 4-(2,4-dihydroxyphenyl)piperidine-1-carboxylate
CID 46214205

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-(2-fluoro-4-hydroxyphenyl)piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-(2-fluoro-4-hydroxyphenyl)piperidin-1-yl]methanone (CID 125474254) is cyclopropyl-[4-(2-fluoro-4-hydroxyphenyl)piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-(2-fluoro-4-hydroxyphenyl)piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-(2-fluoro-4-hydroxyphenyl)piperidin-1-yl]methanone is O=C(C1CC1)N1CCC(c2ccc(O)cc2F)CC1.
What is the InChIKey of cyclopropyl-[4-(2-fluoro-4-hydroxyphenyl)piperidin-1-yl]methanone?
The InChIKey is KDYZCLHWDQPHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO2/c16-14-9-12(18)3-4-13(14)10-5-7-17(8-6-10)15(19)11-1-2-11/h3-4,9-11,18H,1-2,5-8H2.
What are the key properties of cyclopropyl-[4-(2-fluoro-4-hydroxyphenyl)piperidin-1-yl]methanone?
cyclopropyl-[4-(2-fluoro-4-hydroxyphenyl)piperidin-1-yl]methanone has a molecular weight of 263.31 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-(2-fluoro-4-hydroxyphenyl)piperidin-1-yl]methanone is sourced from PubChem (CID 125474254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).