(4-methylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone chloride

C13H15ClF3N2O- — CID 53350752

IUPAC(4-methylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone chloride
SMILESCN1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1.[Cl-]
InChIInChI=1S/C13H15F3N2O.ClH/c1-17-6-8-18(9-7-17)12(19)10-2-4-11(5-3-10)13(14,15)16;/h2-5H,6-9H2,1H3;1H/p-1
InChIKeyNQFIILHTKJRJEA-UHFFFAOYSA-M
MW307.72 g/mol
LogP-0.90
Rot. Bonds1

About (4-methylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone chloride

(4-methylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone chloride (PubChem CID 53350752) has the molecular formula C13H15ClF3N2O- and a molecular weight of 307.72 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone chloride.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone chloride
PubChem CID53350752
Molecular FormulaC13H15ClF3N2O-
Molecular Weight307.72 g/mol
Exact Mass307.08
IUPAC Name(4-methylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone chloride
SMILESCN1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1.[Cl-]
InChIInChI=1S/C13H15F3N2O.ClH/c1-17-6-8-18(9-7-17)12(19)10-2-4-11(5-3-10)13(14,15)16;/h2-5H,6-9H2,1H3;1H/p-1
InChIKeyNQFIILHTKJRJEA-UHFFFAOYSA-M
XLogP-0.90
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.72
LogP ≤ 5-0.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(4-bromobenzoyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 108534348
[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 91916421
(4-ethylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 2422199
4-(4-methylpiperazine-1-carbonyl)benzoic acid;hydrochloride
CID 142705499
(4-methylpiperazin-1-yl)-pyridin-4-ylmethanone;hydrochloride
CID 110755354
[4-(2-chloroethyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 63395121
thiomorpholin-4-yl-[4-(trifluoromethyl)phenyl]methanone
CID 146080386
[4-(3-hydroxypropyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 110898053
[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 113073703
[4-(2-hydroxy-4-methylbenzoyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 38583412
(4-hydroxypiperidin-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 139087671
[4-(4-tert-butylbenzoyl)piperazin-1-yl]-(4-tert-butylphenyl)methanone
CID 1241593

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone chloride?
The IUPAC name of (4-methylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone chloride (CID 53350752) is (4-methylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone chloride.
What is the SMILES notation for (4-methylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone chloride?
The canonical SMILES for (4-methylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone chloride is CN1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1.[Cl-].
What is the InChIKey of (4-methylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone chloride?
The InChIKey is NQFIILHTKJRJEA-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H15F3N2O.ClH/c1-17-6-8-18(9-7-17)12(19)10-2-4-11(5-3-10)13(14,15)16;/h2-5H,6-9H2,1H3;1H/p-1.
What are the key properties of (4-methylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone chloride?
(4-methylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone chloride has a molecular weight of 307.72 g/mol, XLogP of -0.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone chloride is sourced from PubChem (CID 53350752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).