1-[[4-(2-methylpropyl)phenyl]methyl]-4-(2,2,2-trifluoroethyl)piperazine

C17H25F3N2 — CID 155207572

IUPAC1-[[4-(2-methylpropyl)phenyl]methyl]-4-(2,2,2-trifluoroethyl)piperazine
SMILESCC(C)Cc1ccc(CN2CCN(CC(F)(F)F)CC2)cc1
InChIInChI=1S/C17H25F3N2/c1-14(2)11-15-3-5-16(6-4-15)12-21-7-9-22(10-8-21)13-17(18,19)20/h3-6,14H,7-13H2,1-2H3
InChIKeyJZJCZFRRWOQLEU-UHFFFAOYSA-N
MW314.40 g/mol
LogP3.57
Rot. Bonds5

About 1-[[4-(2-methylpropyl)phenyl]methyl]-4-(2,2,2-trifluoroethyl)piperazine

1-[[4-(2-methylpropyl)phenyl]methyl]-4-(2,2,2-trifluoroethyl)piperazine (PubChem CID 155207572) has the molecular formula C17H25F3N2 and a molecular weight of 314.40 g/mol. Its IUPAC name is 1-[[4-(2-methylpropyl)phenyl]methyl]-4-(2,2,2-trifluoroethyl)piperazine.

Molecular Properties

Compound Name1-[[4-(2-methylpropyl)phenyl]methyl]-4-(2,2,2-trifluoroethyl)piperazine
PubChem CID155207572
Molecular FormulaC17H25F3N2
Molecular Weight314.40 g/mol
Exact Mass314.20
IUPAC Name1-[[4-(2-methylpropyl)phenyl]methyl]-4-(2,2,2-trifluoroethyl)piperazine
SMILESCC(C)Cc1ccc(CN2CCN(CC(F)(F)F)CC2)cc1
InChIInChI=1S/C17H25F3N2/c1-14(2)11-15-3-5-16(6-4-15)12-21-7-9-22(10-8-21)13-17(18,19)20/h3-6,14H,7-13H2,1-2H3
InChIKeyJZJCZFRRWOQLEU-UHFFFAOYSA-N
XLogP3.57
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.40
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-bromophenyl)methyl]-4-(2,2,2-trifluoroethyl)piperazine
CID 52542822
[4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]phenyl]boronic acid
CID 62966668
4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]benzoic acid;dihydrochloride
CID 139211314
1-[[4-(2-methylpropyl)phenyl]methyl]-4-phenylpiperazine
CID 174263891
1-[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]propan-2-amine
CID 63795052
1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-4-amine;hydrochloride
CID 119907556
2-chloro-4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]phenol
CID 82979240
ethane;1-(2-methylpropyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 168904282
1-[(3-bromophenyl)methyl]-4-(2,2,2-trifluoroethyl)piperazine
CID 60705102
1-(2-fluoro-4-isocyanophenyl)-4-[[4-(2-methylpropyl)phenyl]methyl]piperazine
CID 164836471
4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenol
CID 113222701
1,4,7,10-tetrakis[(4-fluorophenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 102293981

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(2-methylpropyl)phenyl]methyl]-4-(2,2,2-trifluoroethyl)piperazine?
The IUPAC name of 1-[[4-(2-methylpropyl)phenyl]methyl]-4-(2,2,2-trifluoroethyl)piperazine (CID 155207572) is 1-[[4-(2-methylpropyl)phenyl]methyl]-4-(2,2,2-trifluoroethyl)piperazine.
What is the SMILES notation for 1-[[4-(2-methylpropyl)phenyl]methyl]-4-(2,2,2-trifluoroethyl)piperazine?
The canonical SMILES for 1-[[4-(2-methylpropyl)phenyl]methyl]-4-(2,2,2-trifluoroethyl)piperazine is CC(C)Cc1ccc(CN2CCN(CC(F)(F)F)CC2)cc1.
What is the InChIKey of 1-[[4-(2-methylpropyl)phenyl]methyl]-4-(2,2,2-trifluoroethyl)piperazine?
The InChIKey is JZJCZFRRWOQLEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F3N2/c1-14(2)11-15-3-5-16(6-4-15)12-21-7-9-22(10-8-21)13-17(18,19)20/h3-6,14H,7-13H2,1-2H3.
What are the key properties of 1-[[4-(2-methylpropyl)phenyl]methyl]-4-(2,2,2-trifluoroethyl)piperazine?
1-[[4-(2-methylpropyl)phenyl]methyl]-4-(2,2,2-trifluoroethyl)piperazine has a molecular weight of 314.40 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(2-methylpropyl)phenyl]methyl]-4-(2,2,2-trifluoroethyl)piperazine is sourced from PubChem (CID 155207572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).