ethane;3-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperazine

C15H23F3N2 — CID 177060331

IUPACethane;3-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperazine
SMILESCC.CC1CN(Cc2ccc(C(F)(F)F)cc2)CCN1
InChIInChI=1S/C13H17F3N2.C2H6/c1-10-8-18(7-6-17-10)9-11-2-4-12(5-3-11)13(14,15)16;1-2/h2-5,10,17H,6-9H2,1H3;1-2H3
InChIKeyJZZUKNBRFSRWKC-UHFFFAOYSA-N
MW288.36 g/mol
LogP3.53
Rot. Bonds2

About ethane;3-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperazine

ethane;3-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperazine (PubChem CID 177060331) has the molecular formula C15H23F3N2 and a molecular weight of 288.36 g/mol. Its IUPAC name is ethane;3-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperazine.

Molecular Properties

Compound Nameethane;3-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperazine
PubChem CID177060331
Molecular FormulaC15H23F3N2
Molecular Weight288.36 g/mol
Exact Mass288.18
IUPAC Nameethane;3-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperazine
SMILESCC.CC1CN(Cc2ccc(C(F)(F)F)cc2)CCN1
InChIInChI=1S/C13H17F3N2.C2H6/c1-10-8-18(7-6-17-10)9-11-2-4-12(5-3-11)13(14,15)16;1-2/h2-5,10,17H,6-9H2,1H3;1-2H3
InChIKeyJZZUKNBRFSRWKC-UHFFFAOYSA-N
XLogP3.53
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-3-methylpiperazine;ethane
CID 166543639
1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-3-methylpiperazine
CID 80505562
(3R)-1-[[4-(difluoromethyl)phenyl]methyl]-3-methylpiperazine
CID 120615750
(3S)-1-benzyl-3-methylpiperazine;hydrochloride
CID 52982949
(3S)-3-methyl-1-[(4-propan-2-ylphenyl)methyl]piperazine
CID 95449204
(3S)-1-[(4-methoxyphenyl)methyl]-3-methylpiperazine
CID 66524664
(3R)-1-[(4-methoxyphenyl)methyl]-3-methylpiperazine
CID 86328502
3-(difluoromethoxymethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperazine
CID 175156494
3-propyl-1-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane
CID 64872070
1-[(3R)-3-methylpiperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone
CID 81426431
1-[(3-bromo-4-fluorophenyl)methyl]-3-methylpiperazine;hydrochloride
CID 119924261
1-[(4-iodophenyl)methyl]-3-methyl-1,4-diazepane
CID 65491766

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperazine?
The IUPAC name of ethane;3-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperazine (CID 177060331) is ethane;3-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperazine.
What is the SMILES notation for ethane;3-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperazine?
The canonical SMILES for ethane;3-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperazine is CC.CC1CN(Cc2ccc(C(F)(F)F)cc2)CCN1.
What is the InChIKey of ethane;3-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperazine?
The InChIKey is JZZUKNBRFSRWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2.C2H6/c1-10-8-18(7-6-17-10)9-11-2-4-12(5-3-11)13(14,15)16;1-2/h2-5,10,17H,6-9H2,1H3;1-2H3.
What are the key properties of ethane;3-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperazine?
ethane;3-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperazine has a molecular weight of 288.36 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperazine is sourced from PubChem (CID 177060331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).