[1-(4-fluorophenyl)cyclopropyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone

C17H22FNO2 — CID 103677994

IUPAC[1-(4-fluorophenyl)cyclopropyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
SMILESCC(O)C1CCN(C(=O)C2(c3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C17H22FNO2/c1-12(20)13-6-10-19(11-7-13)16(21)17(8-9-17)14-2-4-15(18)5-3-14/h2-5,12-13,20H,6-11H2,1H3
InChIKeyFFUNENXCCWSOPQ-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.48
Rot. Bonds3

About [1-(4-fluorophenyl)cyclopropyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone

[1-(4-fluorophenyl)cyclopropyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone (PubChem CID 103677994) has the molecular formula C17H22FNO2 and a molecular weight of 291.37 g/mol. Its IUPAC name is [1-(4-fluorophenyl)cyclopropyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(4-fluorophenyl)cyclopropyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
PubChem CID103677994
Molecular FormulaC17H22FNO2
Molecular Weight291.37 g/mol
Exact Mass291.16
IUPAC Name[1-(4-fluorophenyl)cyclopropyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
SMILESCC(O)C1CCN(C(=O)C2(c3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C17H22FNO2/c1-12(20)13-6-10-19(11-7-13)16(21)17(8-9-17)14-2-4-15(18)5-3-14/h2-5,12-13,20H,6-11H2,1H3
InChIKeyFFUNENXCCWSOPQ-UHFFFAOYSA-N
XLogP2.48
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(1-hydroxyethyl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 103677890
[1-(3-fluorophenyl)cyclobutyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 111430036
1-[1-(4-fluorophenyl)cyclopropanecarbonyl]-N,N-dimethylpiperidine-4-carboxamide
CID 134062059
[1-(4-fluorophenyl)cyclopropyl]-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]methanone
CID 95341434
[1-(4-fluorophenyl)cyclopropyl]-piperazin-1-ylmethanone;hydrochloride
CID 119403724
[1-(4-fluorophenyl)cyclopropyl]-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
CID 96500934
[1-(4-fluorophenyl)cyclopropyl]-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]methanone
CID 126892183
(4-cyclohexyloxypiperidin-1-yl)-[1-(4-fluorophenyl)cyclopentyl]methanone
CID 86873749
[4-(4-fluorophenyl)piperazin-1-yl]-[1-(4-methoxyphenyl)cyclopropyl]methanone
CID 113198428
[1-(4-fluorophenyl)cyclopentyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119546090
1-[1-(4-fluorophenyl)cyclopropanecarbonyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 87020609
[1-(4-fluorophenyl)cyclopropyl]-(4-pyridin-4-yloxypiperidin-1-yl)methanone
CID 72939906

Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)cyclopropyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone?
The IUPAC name of [1-(4-fluorophenyl)cyclopropyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone (CID 103677994) is [1-(4-fluorophenyl)cyclopropyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [1-(4-fluorophenyl)cyclopropyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone?
The canonical SMILES for [1-(4-fluorophenyl)cyclopropyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone is CC(O)C1CCN(C(=O)C2(c3ccc(F)cc3)CC2)CC1.
What is the InChIKey of [1-(4-fluorophenyl)cyclopropyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone?
The InChIKey is FFUNENXCCWSOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO2/c1-12(20)13-6-10-19(11-7-13)16(21)17(8-9-17)14-2-4-15(18)5-3-14/h2-5,12-13,20H,6-11H2,1H3.
What are the key properties of [1-(4-fluorophenyl)cyclopropyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone?
[1-(4-fluorophenyl)cyclopropyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone has a molecular weight of 291.37 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)cyclopropyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 103677994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).