(4-cycloheptylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone

C19H25F3N2O — CID 113074934

IUPAC(4-cycloheptylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)N1CCN(C2CCCCCC2)CC1
InChIInChI=1S/C19H25F3N2O/c20-19(21,22)16-9-7-15(8-10-16)18(25)24-13-11-23(12-14-24)17-5-3-1-2-4-6-17/h7-10,17H,1-6,11-14H2
InChIKeyRWZOLMIWXKAACV-UHFFFAOYSA-N
MW354.42 g/mol
LogP4.19
Rot. Bonds2

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

(4-cycloheptylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone (PubChem CID 113074934) has the molecular formula C19H25F3N2O and a molecular weight of 354.42 g/mol. Its IUPAC name is (4-cycloheptylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(4-cycloheptylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone
PubChem CID113074934
Molecular FormulaC19H25F3N2O
Molecular Weight354.42 g/mol
Exact Mass354.19
IUPAC Name(4-cycloheptylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)N1CCN(C2CCCCCC2)CC1
InChIInChI=1S/C19H25F3N2O/c20-19(21,22)16-9-7-15(8-10-16)18(25)24-13-11-23(12-14-24)17-5-3-1-2-4-6-17/h7-10,17H,1-6,11-14H2
InChIKeyRWZOLMIWXKAACV-UHFFFAOYSA-N
XLogP4.19
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.42
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-cyclopentylpiperazin-1-yl)-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone
CID 55584059
(4-pyrrolidin-1-ylpiperidin-1-yl)-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone
CID 56550837
2-cyclohexyl-1-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone
CID 55586569
cyclopentyl-[4-[4-(trifluoromethyl)benzoyl]-1,4-diazepan-1-yl]methanone
CID 110797847
1-[4-[1-[4-(trifluoromethyl)benzoyl]azetidin-3-yl]piperazin-1-yl]ethanone
CID 84582681
(4-hydroxypiperidin-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 139087671
azepan-1-yl-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone
CID 55408385
[4-(bromomethyl)phenyl]-(4-cyclopentylpiperazin-1-yl)methanone
CID 102851595
N-cyclohexyl-N-methyl-4-[4-(trifluoromethyl)benzoyl]piperazine-1-sulfonamide
CID 34107789
1-cyclopentyl-4-[4-[4-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 46413405
[4-(4-bromobenzoyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 108534348
[4-(4-piperidin-1-ylpiperidine-1-carbonyl)phenyl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 70679311

Frequently Asked Questions

What is the IUPAC name of (4-cycloheptylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (4-cycloheptylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone (CID 113074934) is (4-cycloheptylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (4-cycloheptylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (4-cycloheptylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone is O=C(c1ccc(C(F)(F)F)cc1)N1CCN(C2CCCCCC2)CC1.
What is the InChIKey of (4-cycloheptylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone?
The InChIKey is RWZOLMIWXKAACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F3N2O/c20-19(21,22)16-9-7-15(8-10-16)18(25)24-13-11-23(12-14-24)17-5-3-1-2-4-6-17/h7-10,17H,1-6,11-14H2.
What are the key properties of (4-cycloheptylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone?
(4-cycloheptylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone has a molecular weight of 354.42 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cycloheptylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 113074934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).