(2-methylpiperazin-1-yl)-[4-(trifluoromethoxy)phenyl]methanone;hydrochloride

C13H16ClF3N2O2 — CID 119472401

IUPAC(2-methylpiperazin-1-yl)-[4-(trifluoromethoxy)phenyl]methanone;hydrochloride
SMILESCC1CNCCN1C(=O)c1ccc(OC(F)(F)F)cc1.Cl
InChIInChI=1S/C13H15F3N2O2.ClH/c1-9-8-17-6-7-18(9)12(19)10-2-4-11(5-3-10)20-13(14,15)16;/h2-5,9,17H,6-8H2,1H3;1H
InChIKeyDNIKUMWWLGBNAQ-UHFFFAOYSA-N
MW324.73 g/mol
LogP2.44
Rot. Bonds2

About (2-methylpiperazin-1-yl)-[4-(trifluoromethoxy)phenyl]methanone;hydrochloride

(2-methylpiperazin-1-yl)-[4-(trifluoromethoxy)phenyl]methanone;hydrochloride (PubChem CID 119472401) has the molecular formula C13H16ClF3N2O2 and a molecular weight of 324.73 g/mol. Its IUPAC name is (2-methylpiperazin-1-yl)-[4-(trifluoromethoxy)phenyl]methanone;hydrochloride.

Molecular Properties

Compound Name(2-methylpiperazin-1-yl)-[4-(trifluoromethoxy)phenyl]methanone;hydrochloride
PubChem CID119472401
Molecular FormulaC13H16ClF3N2O2
Molecular Weight324.73 g/mol
Exact Mass324.09
IUPAC Name(2-methylpiperazin-1-yl)-[4-(trifluoromethoxy)phenyl]methanone;hydrochloride
SMILESCC1CNCCN1C(=O)c1ccc(OC(F)(F)F)cc1.Cl
InChIInChI=1S/C13H15F3N2O2.ClH/c1-9-8-17-6-7-18(9)12(19)10-2-4-11(5-3-10)20-13(14,15)16;/h2-5,9,17H,6-8H2,1H3;1H
InChIKeyDNIKUMWWLGBNAQ-UHFFFAOYSA-N
XLogP2.44
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.73
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methylpiperazin-1-yl)-(4-phenoxyphenyl)methanone;hydrochloride
CID 119470393
[4-(difluoromethoxy)phenyl]-(2-methylpiperazin-1-yl)methanone
CID 62672938
(4-tert-butylphenyl)-(2-methylpiperazin-1-yl)methanone
CID 62673639
(4-chlorophenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119472310
(4-tert-butylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82705106
(4-methylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82705562
(4-iodophenyl)-(2-methylpiperazin-1-yl)methanone
CID 62671877
(2-methylpiperazin-1-yl)-(4-prop-2-enoxyphenyl)methanone;hydrochloride
CID 119472958
[4-(cyclopropylmethoxy)phenyl]-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119471413
(4-ethylphenyl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82705638
(2-methylpiperazin-1-yl)-(4-phenylphenyl)methanone
CID 69401759
[4-(dimethylamino)phenyl]-(2-methylpiperazin-1-yl)methanone
CID 50999638

Frequently Asked Questions

What is the IUPAC name of (2-methylpiperazin-1-yl)-[4-(trifluoromethoxy)phenyl]methanone;hydrochloride?
The IUPAC name of (2-methylpiperazin-1-yl)-[4-(trifluoromethoxy)phenyl]methanone;hydrochloride (CID 119472401) is (2-methylpiperazin-1-yl)-[4-(trifluoromethoxy)phenyl]methanone;hydrochloride.
What is the SMILES notation for (2-methylpiperazin-1-yl)-[4-(trifluoromethoxy)phenyl]methanone;hydrochloride?
The canonical SMILES for (2-methylpiperazin-1-yl)-[4-(trifluoromethoxy)phenyl]methanone;hydrochloride is CC1CNCCN1C(=O)c1ccc(OC(F)(F)F)cc1.Cl.
What is the InChIKey of (2-methylpiperazin-1-yl)-[4-(trifluoromethoxy)phenyl]methanone;hydrochloride?
The InChIKey is DNIKUMWWLGBNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O2.ClH/c1-9-8-17-6-7-18(9)12(19)10-2-4-11(5-3-10)20-13(14,15)16;/h2-5,9,17H,6-8H2,1H3;1H.
What are the key properties of (2-methylpiperazin-1-yl)-[4-(trifluoromethoxy)phenyl]methanone;hydrochloride?
(2-methylpiperazin-1-yl)-[4-(trifluoromethoxy)phenyl]methanone;hydrochloride has a molecular weight of 324.73 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpiperazin-1-yl)-[4-(trifluoromethoxy)phenyl]methanone;hydrochloride is sourced from PubChem (CID 119472401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).