[(3S)-3-methylpiperazin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone;hydrochloride

C10H16ClF3N2O — CID 166513712

IUPAC[(3S)-3-methylpiperazin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone;hydrochloride
SMILESC[C@H]1CN(C(=O)C2(C(F)(F)F)CC2)CCN1.Cl
InChIInChI=1S/C10H15F3N2O.ClH/c1-7-6-15(5-4-14-7)8(16)9(2-3-9)10(11,12)13;/h7,14H,2-6H2,1H3;1H/t7-;/m0./s1
InChIKeySZGOKYKITHEYDF-FJXQXJEOSA-N
MW272.70 g/mol
LogP1.57
Rot. Bonds1

About [(3S)-3-methylpiperazin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone;hydrochloride

[(3S)-3-methylpiperazin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone;hydrochloride (PubChem CID 166513712) has the molecular formula C10H16ClF3N2O and a molecular weight of 272.70 g/mol. Its IUPAC name is [(3S)-3-methylpiperazin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone;hydrochloride.

Molecular Properties

Compound Name[(3S)-3-methylpiperazin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone;hydrochloride
PubChem CID166513712
Molecular FormulaC10H16ClF3N2O
Molecular Weight272.70 g/mol
Exact Mass272.09
IUPAC Name[(3S)-3-methylpiperazin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone;hydrochloride
SMILESC[C@H]1CN(C(=O)C2(C(F)(F)F)CC2)CCN1.Cl
InChIInChI=1S/C10H15F3N2O.ClH/c1-7-6-15(5-4-14-7)8(16)9(2-3-9)10(11,12)13;/h7,14H,2-6H2,1H3;1H/t7-;/m0./s1
InChIKeySZGOKYKITHEYDF-FJXQXJEOSA-N
XLogP1.57
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.70
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(3S)-3-methylpiperazin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone;hydrochloride?
The IUPAC name of [(3S)-3-methylpiperazin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone;hydrochloride (CID 166513712) is [(3S)-3-methylpiperazin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone;hydrochloride.
What is the SMILES notation for [(3S)-3-methylpiperazin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone;hydrochloride?
The canonical SMILES for [(3S)-3-methylpiperazin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone;hydrochloride is C[C@H]1CN(C(=O)C2(C(F)(F)F)CC2)CCN1.Cl.
What is the InChIKey of [(3S)-3-methylpiperazin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone;hydrochloride?
The InChIKey is SZGOKYKITHEYDF-FJXQXJEOSA-N. The full InChI is InChI=1S/C10H15F3N2O.ClH/c1-7-6-15(5-4-14-7)8(16)9(2-3-9)10(11,12)13;/h7,14H,2-6H2,1H3;1H/t7-;/m0./s1.
What are the key properties of [(3S)-3-methylpiperazin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone;hydrochloride?
[(3S)-3-methylpiperazin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone;hydrochloride has a molecular weight of 272.70 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-methylpiperazin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone;hydrochloride is sourced from PubChem (CID 166513712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).