[4-[4-chloro-2-(trifluoromethyl)phenyl]piperazin-1-yl]-cyclopropylmethanone

C15H16ClF3N2O — CID 113080094

IUPAC[4-[4-chloro-2-(trifluoromethyl)phenyl]piperazin-1-yl]-cyclopropylmethanone
SMILESO=C(C1CC1)N1CCN(c2ccc(Cl)cc2C(F)(F)F)CC1
InChIInChI=1S/C15H16ClF3N2O/c16-11-3-4-13(12(9-11)15(17,18)19)20-5-7-21(8-6-20)14(22)10-1-2-10/h3-4,9-10H,1-2,5-8H2
InChIKeyULLDRFDJJKOFSU-UHFFFAOYSA-N
MW332.75 g/mol
LogP3.42
Rot. Bonds2

About [4-[4-chloro-2-(trifluoromethyl)phenyl]piperazin-1-yl]-cyclopropylmethanone

[4-[4-chloro-2-(trifluoromethyl)phenyl]piperazin-1-yl]-cyclopropylmethanone (PubChem CID 113080094) has the molecular formula C15H16ClF3N2O and a molecular weight of 332.75 g/mol. Its IUPAC name is [4-[4-chloro-2-(trifluoromethyl)phenyl]piperazin-1-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[4-[4-chloro-2-(trifluoromethyl)phenyl]piperazin-1-yl]-cyclopropylmethanone
PubChem CID113080094
Molecular FormulaC15H16ClF3N2O
Molecular Weight332.75 g/mol
Exact Mass332.09
IUPAC Name[4-[4-chloro-2-(trifluoromethyl)phenyl]piperazin-1-yl]-cyclopropylmethanone
SMILESO=C(C1CC1)N1CCN(c2ccc(Cl)cc2C(F)(F)F)CC1
InChIInChI=1S/C15H16ClF3N2O/c16-11-3-4-13(12(9-11)15(17,18)19)20-5-7-21(8-6-20)14(22)10-1-2-10/h3-4,9-10H,1-2,5-8H2
InChIKeyULLDRFDJJKOFSU-UHFFFAOYSA-N
XLogP3.42
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.75
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl 4-[4-chloro-2-(trifluoromethyl)phenyl]piperazine-1-carboxylate
CID 113080122
[4-(2,4-dichlorophenyl)piperazin-1-yl]-piperidin-4-ylmethanone
CID 143238076
N-[4-chloro-2-(trifluoromethyl)phenyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
CID 113008466
4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-fluorobenzoic acid
CID 176582674
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(1-methylpiperidin-4-yl)methanone
CID 99817362
N-butyl-4-[4-chloro-2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 113103935
[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]-cyclohexylmethanone
CID 113080057
[4-[5-chloro-2-(trifluoromethyl)phenyl]piperazin-1-yl]-[2-(4-fluorophenyl)cyclopropyl]methanone
CID 137436681
1-[4-chloro-2-(trifluoromethyl)phenyl]-4-ethylsulfonylpiperazine
CID 113080128
[1-(3-chlorophenyl)piperidin-4-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 17153069
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride
CID 120631405
2-[(3S)-1-[4-chloro-2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]oxyacetic acid
CID 58466083

Frequently Asked Questions

What is the IUPAC name of [4-[4-chloro-2-(trifluoromethyl)phenyl]piperazin-1-yl]-cyclopropylmethanone?
The IUPAC name of [4-[4-chloro-2-(trifluoromethyl)phenyl]piperazin-1-yl]-cyclopropylmethanone (CID 113080094) is [4-[4-chloro-2-(trifluoromethyl)phenyl]piperazin-1-yl]-cyclopropylmethanone.
What is the SMILES notation for [4-[4-chloro-2-(trifluoromethyl)phenyl]piperazin-1-yl]-cyclopropylmethanone?
The canonical SMILES for [4-[4-chloro-2-(trifluoromethyl)phenyl]piperazin-1-yl]-cyclopropylmethanone is O=C(C1CC1)N1CCN(c2ccc(Cl)cc2C(F)(F)F)CC1.
What is the InChIKey of [4-[4-chloro-2-(trifluoromethyl)phenyl]piperazin-1-yl]-cyclopropylmethanone?
The InChIKey is ULLDRFDJJKOFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClF3N2O/c16-11-3-4-13(12(9-11)15(17,18)19)20-5-7-21(8-6-20)14(22)10-1-2-10/h3-4,9-10H,1-2,5-8H2.
What are the key properties of [4-[4-chloro-2-(trifluoromethyl)phenyl]piperazin-1-yl]-cyclopropylmethanone?
[4-[4-chloro-2-(trifluoromethyl)phenyl]piperazin-1-yl]-cyclopropylmethanone has a molecular weight of 332.75 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-chloro-2-(trifluoromethyl)phenyl]piperazin-1-yl]-cyclopropylmethanone is sourced from PubChem (CID 113080094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).