4-cyclobutyl-2-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperazine

C17H23F3N2 — CID 138739814

IUPAC4-cyclobutyl-2-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperazine
SMILESCC1CN(C2CCC2)CCN1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H23F3N2/c1-13-11-22(16-6-3-7-16)9-8-21(13)12-14-4-2-5-15(10-14)17(18,19)20/h2,4-5,10,13,16H,3,6-9,11-12H2,1H3
InChIKeyODGDRSFJDXCLRM-UHFFFAOYSA-N
MW312.38 g/mol
LogP3.76
Rot. Bonds3

About 4-cyclobutyl-2-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperazine

4-cyclobutyl-2-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperazine (PubChem CID 138739814) has the molecular formula C17H23F3N2 and a molecular weight of 312.38 g/mol. Its IUPAC name is 4-cyclobutyl-2-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperazine.

Molecular Properties

Compound Name4-cyclobutyl-2-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperazine
PubChem CID138739814
Molecular FormulaC17H23F3N2
Molecular Weight312.38 g/mol
Exact Mass312.18
IUPAC Name4-cyclobutyl-2-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperazine
SMILESCC1CN(C2CCC2)CCN1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H23F3N2/c1-13-11-22(16-6-3-7-16)9-8-21(13)12-14-4-2-5-15(10-14)17(18,19)20/h2,4-5,10,13,16H,3,6-9,11-12H2,1H3
InChIKeyODGDRSFJDXCLRM-UHFFFAOYSA-N
XLogP3.76
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-pyrrolidin-1-yl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 52878093
3-methyl-2-[3-(trifluoromethyl)phenyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79931085
(2S,5R)-2,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride
CID 162420387
[3-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]phenyl]methanamine
CID 79924895
(4aR,8aS)-6-cyclopentyl-1-[[3-(trifluoromethyl)phenyl]methyl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
CID 26349599
3-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]benzoic acid
CID 79920463
(3S,8aS)-2-[(3-methoxyphenyl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 92604019
1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-ol
CID 5180021
(2S)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid
CID 67172686
(3R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-amine
CID 24904810
3-chloro-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine
CID 63386578
1-(azetidin-3-yl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine
CID 66202708

Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyl-2-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperazine?
The IUPAC name of 4-cyclobutyl-2-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperazine (CID 138739814) is 4-cyclobutyl-2-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperazine.
What is the SMILES notation for 4-cyclobutyl-2-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperazine?
The canonical SMILES for 4-cyclobutyl-2-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperazine is CC1CN(C2CCC2)CCN1Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-cyclobutyl-2-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperazine?
The InChIKey is ODGDRSFJDXCLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2/c1-13-11-22(16-6-3-7-16)9-8-21(13)12-14-4-2-5-15(10-14)17(18,19)20/h2,4-5,10,13,16H,3,6-9,11-12H2,1H3.
What are the key properties of 4-cyclobutyl-2-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperazine?
4-cyclobutyl-2-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperazine has a molecular weight of 312.38 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyl-2-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperazine is sourced from PubChem (CID 138739814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).