(4-benzyl-2-methylpiperazin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone

C17H21F3N2O — CID 169115361

IUPAC(4-benzyl-2-methylpiperazin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone
SMILESCC1CN(Cc2ccccc2)CCN1C(=O)C1(C(F)(F)F)CC1
InChIInChI=1S/C17H21F3N2O/c1-13-11-21(12-14-5-3-2-4-6-14)9-10-22(13)15(23)16(7-8-16)17(18,19)20/h2-6,13H,7-12H2,1H3
InChIKeyWHNAZPRHAULMMO-UHFFFAOYSA-N
MW326.36 g/mol
LogP3.06
Rot. Bonds3

About (4-benzyl-2-methylpiperazin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone

(4-benzyl-2-methylpiperazin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone (PubChem CID 169115361) has the molecular formula C17H21F3N2O and a molecular weight of 326.36 g/mol. Its IUPAC name is (4-benzyl-2-methylpiperazin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone.

Molecular Properties

Compound Name(4-benzyl-2-methylpiperazin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone
PubChem CID169115361
Molecular FormulaC17H21F3N2O
Molecular Weight326.36 g/mol
Exact Mass326.16
IUPAC Name(4-benzyl-2-methylpiperazin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone
SMILESCC1CN(Cc2ccccc2)CCN1C(=O)C1(C(F)(F)F)CC1
InChIInChI=1S/C17H21F3N2O/c1-13-11-21(12-14-5-3-2-4-6-14)9-10-22(13)15(23)16(7-8-16)17(18,19)20/h2-6,13H,7-12H2,1H3
InChIKeyWHNAZPRHAULMMO-UHFFFAOYSA-N
XLogP3.06
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S)-4-benzyl-2-methylpiperazin-1-yl]-phenylmethanone
CID 129363222
(4-benzyl-2-methylpiperazin-1-yl)-phenylmethanone
CID 10708948
3-amino-1-(4-benzyl-2-methylpiperazin-1-yl)butan-1-one
CID 119884612
1-[(2R)-4-benzyl-2-methylpiperazin-1-yl]-2-piperidin-4-ylethanone
CID 119886406
(5R)-5-[(2R)-4-[(4-fluorophenyl)methyl]-2-methylpiperazine-1-carbonyl]-5-methylpiperidin-2-one
CID 124885234
[1-benzyl-3-(trifluoromethyl)pyrrolidin-3-yl]-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119579598
(3R,4S)-1-benzyl-4-methylpiperidine-3,4-diol
CID 69059860
[(2R)-4-benzyl-2-methylpiperazin-1-yl]-[(1S,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone
CID 124840211
1-(4-benzyl-2-methylpiperazin-1-yl)-3-(2,4,6-trimethylphenyl)propan-1-one
CID 78042643
4-benzyl-2-methyl-1-methylsulfonylpiperazine
CID 72691051
3-[2-(4-benzyl-2-methylpiperazin-1-yl)-2-oxoethyl]-1,3-dihydroindol-2-one
CID 167811788
(2S)-4-benzyl-2-ethylpiperazine-1-carboxylic acid
CID 67131699

Frequently Asked Questions

What is the IUPAC name of (4-benzyl-2-methylpiperazin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone?
The IUPAC name of (4-benzyl-2-methylpiperazin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone (CID 169115361) is (4-benzyl-2-methylpiperazin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone.
What is the SMILES notation for (4-benzyl-2-methylpiperazin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone?
The canonical SMILES for (4-benzyl-2-methylpiperazin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone is CC1CN(Cc2ccccc2)CCN1C(=O)C1(C(F)(F)F)CC1.
What is the InChIKey of (4-benzyl-2-methylpiperazin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone?
The InChIKey is WHNAZPRHAULMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N2O/c1-13-11-21(12-14-5-3-2-4-6-14)9-10-22(13)15(23)16(7-8-16)17(18,19)20/h2-6,13H,7-12H2,1H3.
What are the key properties of (4-benzyl-2-methylpiperazin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone?
(4-benzyl-2-methylpiperazin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone has a molecular weight of 326.36 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzyl-2-methylpiperazin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone is sourced from PubChem (CID 169115361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).