[2-(4-fluorophenyl)cyclopropyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone

C17H22FNO2 — CID 111429835

IUPAC[2-(4-fluorophenyl)cyclopropyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
SMILESCC(O)C1CCN(C(=O)C2CC2c2ccc(F)cc2)CC1
InChIInChI=1S/C17H22FNO2/c1-11(20)12-6-8-19(9-7-12)17(21)16-10-15(16)13-2-4-14(18)5-3-13/h2-5,11-12,15-16,20H,6-10H2,1H3
InChIKeyJAXWWSMBDYPYQA-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.55
Rot. Bonds3

About [2-(4-fluorophenyl)cyclopropyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone

[2-(4-fluorophenyl)cyclopropyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone (PubChem CID 111429835) has the molecular formula C17H22FNO2 and a molecular weight of 291.37 g/mol. Its IUPAC name is [2-(4-fluorophenyl)cyclopropyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(4-fluorophenyl)cyclopropyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
PubChem CID111429835
Molecular FormulaC17H22FNO2
Molecular Weight291.37 g/mol
Exact Mass291.16
IUPAC Name[2-(4-fluorophenyl)cyclopropyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
SMILESCC(O)C1CCN(C(=O)C2CC2c2ccc(F)cc2)CC1
InChIInChI=1S/C17H22FNO2/c1-11(20)12-6-8-19(9-7-12)17(21)16-10-15(16)13-2-4-14(18)5-3-13/h2-5,11-12,15-16,20H,6-10H2,1H3
InChIKeyJAXWWSMBDYPYQA-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(1-aminoethyl)piperidin-1-yl]-[2-(4-fluorophenyl)cyclopropyl]methanone
CID 119516884
[2-(4-fluorophenyl)cyclopropyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119559905
[2-(4-chlorophenyl)cyclopropyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 110022900
[2-(3-fluorophenyl)cyclopropyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 110023626
[4-(1-aminoethyl)piperidin-1-yl]-[2-(3,4-difluorophenyl)cyclopropyl]methanone
CID 119519871
[4-(1-aminoethyl)piperidin-1-yl]-(2-phenylcyclopropyl)methanone
CID 81478205
[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone
CID 94525636
[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 94532811
[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]methanone
CID 125134461
[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
CID 98774935
[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 125134576
[4-(2,6-difluorobenzoyl)piperazin-1-yl]-[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]methanone
CID 51896883

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)cyclopropyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone?
The IUPAC name of [2-(4-fluorophenyl)cyclopropyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone (CID 111429835) is [2-(4-fluorophenyl)cyclopropyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [2-(4-fluorophenyl)cyclopropyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone?
The canonical SMILES for [2-(4-fluorophenyl)cyclopropyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone is CC(O)C1CCN(C(=O)C2CC2c2ccc(F)cc2)CC1.
What is the InChIKey of [2-(4-fluorophenyl)cyclopropyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone?
The InChIKey is JAXWWSMBDYPYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO2/c1-11(20)12-6-8-19(9-7-12)17(21)16-10-15(16)13-2-4-14(18)5-3-13/h2-5,11-12,15-16,20H,6-10H2,1H3.
What are the key properties of [2-(4-fluorophenyl)cyclopropyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone?
[2-(4-fluorophenyl)cyclopropyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone has a molecular weight of 291.37 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)cyclopropyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 111429835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).