[1-(4-fluorophenyl)cyclopropyl]-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]methanone

C18H25FN2O2 — CID 95341434

IUPAC[1-(4-fluorophenyl)cyclopropyl]-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]methanone
SMILESCC[C@@H](O)CN1CCN(C(=O)C2(c3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C18H25FN2O2/c1-2-16(22)13-20-9-11-21(12-10-20)17(23)18(7-8-18)14-3-5-15(19)6-4-14/h3-6,16,22H,2,7-13H2,1H3/t16-/m1/s1
InChIKeyQCFYQEQUSAWKBR-MRXNPFEDSA-N
MW320.41 g/mol
LogP1.77
Rot. Bonds5

About [1-(4-fluorophenyl)cyclopropyl]-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]methanone

[1-(4-fluorophenyl)cyclopropyl]-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]methanone (PubChem CID 95341434) has the molecular formula C18H25FN2O2 and a molecular weight of 320.41 g/mol. Its IUPAC name is [1-(4-fluorophenyl)cyclopropyl]-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-(4-fluorophenyl)cyclopropyl]-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]methanone
PubChem CID95341434
Molecular FormulaC18H25FN2O2
Molecular Weight320.41 g/mol
Exact Mass320.19
IUPAC Name[1-(4-fluorophenyl)cyclopropyl]-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]methanone
SMILESCC[C@@H](O)CN1CCN(C(=O)C2(c3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C18H25FN2O2/c1-2-16(22)13-20-9-11-21(12-10-20)17(23)18(7-8-18)14-3-5-15(19)6-4-14/h3-6,16,22H,2,7-13H2,1H3/t16-/m1/s1
InChIKeyQCFYQEQUSAWKBR-MRXNPFEDSA-N
XLogP1.77
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-(4-fluorophenyl)cyclopropyl]-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

[1-(4-fluorophenyl)cyclopropyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 103677994
2-(4-fluorophenyl)-1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]ethanone
CID 95337967
[1-(4-fluorophenyl)cyclopropyl]-piperazin-1-ylmethanone;hydrochloride
CID 119403724
[1-(3-fluorophenyl)cyclobutyl]-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95606984
[4-(4-fluorophenyl)piperazin-1-yl]-[1-(4-methoxyphenyl)cyclopropyl]methanone
CID 113198428
[4-[[(2R)-1,4-dioxan-2-yl]methyl]piperazin-1-yl]-[1-(4-fluorophenyl)cyclopropyl]methanone
CID 95321275
[1-(4-fluorophenyl)cyclopropyl]-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122334418
[1-(3-fluorophenyl)cyclopentyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 55339053
[1-(4-fluorophenyl)cyclopropyl]-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
CID 96500934
1-[1-(4-fluorophenyl)cyclopropanecarbonyl]-N,N-dimethylpiperidine-4-carboxamide
CID 134062059
[1-(4-fluorophenyl)cyclopropyl]-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]methanone
CID 126892183
4-[1-(4-fluorophenyl)cyclopentanecarbonyl]piperazine-1-sulfonamide
CID 51133844

Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)cyclopropyl]-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]methanone?
The IUPAC name of [1-(4-fluorophenyl)cyclopropyl]-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]methanone (CID 95341434) is [1-(4-fluorophenyl)cyclopropyl]-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]methanone.
What is the SMILES notation for [1-(4-fluorophenyl)cyclopropyl]-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]methanone?
The canonical SMILES for [1-(4-fluorophenyl)cyclopropyl]-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]methanone is CC[C@@H](O)CN1CCN(C(=O)C2(c3ccc(F)cc3)CC2)CC1.
What is the InChIKey of [1-(4-fluorophenyl)cyclopropyl]-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]methanone?
The InChIKey is QCFYQEQUSAWKBR-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H25FN2O2/c1-2-16(22)13-20-9-11-21(12-10-20)17(23)18(7-8-18)14-3-5-15(19)6-4-14/h3-6,16,22H,2,7-13H2,1H3/t16-/m1/s1.
What are the key properties of [1-(4-fluorophenyl)cyclopropyl]-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]methanone?
[1-(4-fluorophenyl)cyclopropyl]-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]methanone has a molecular weight of 320.41 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)cyclopropyl]-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]methanone is sourced from PubChem (CID 95341434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).