3-(difluoromethoxymethyl)-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperazine

C14H23F5N2O — CID 175158336

IUPAC3-(difluoromethoxymethyl)-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperazine
SMILESFC(F)OCC1CN(CC2CCC(C(F)(F)F)CC2)CCN1
InChIInChI=1S/C14H23F5N2O/c15-13(16)22-9-12-8-21(6-5-20-12)7-10-1-3-11(4-2-10)14(17,18)19/h10-13,20H,1-9H2
InChIKeyCZKKTNZNWBBUPS-UHFFFAOYSA-N
MW330.34 g/mol
LogP2.87
Rot. Bonds5

About 3-(difluoromethoxymethyl)-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperazine

3-(difluoromethoxymethyl)-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperazine (PubChem CID 175158336) has the molecular formula C14H23F5N2O and a molecular weight of 330.34 g/mol. Its IUPAC name is 3-(difluoromethoxymethyl)-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperazine.

Molecular Properties

Compound Name3-(difluoromethoxymethyl)-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperazine
PubChem CID175158336
Molecular FormulaC14H23F5N2O
Molecular Weight330.34 g/mol
Exact Mass330.17
IUPAC Name3-(difluoromethoxymethyl)-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperazine
SMILESFC(F)OCC1CN(CC2CCC(C(F)(F)F)CC2)CCN1
InChIInChI=1S/C14H23F5N2O/c15-13(16)22-9-12-8-21(6-5-20-12)7-10-1-3-11(4-2-10)14(17,18)19/h10-13,20H,1-9H2
InChIKeyCZKKTNZNWBBUPS-UHFFFAOYSA-N
XLogP2.87
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(difluoromethoxymethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperazine
CID 175156494
1-(cyclobutylmethyl)-6-(trifluoromethyl)-1,4-diazepane
CID 103371914
1-[(3,3-difluorocyclohexyl)methyl]-3-ethylpiperazine
CID 114225345
3-ethyl-1-[(1-methylpiperidin-4-yl)methyl]piperazine
CID 64951925
3-ethyl-1-[(1-ethylpiperidin-4-yl)methyl]piperazine
CID 64952931
(3R)-1-(cyclobutylmethyl)-3-methylpiperazine
CID 104975501
1-(cyclopropylmethyl)-3-ethyl-1,4-diazepane
CID 64872296
1-[(1-ethylpiperidin-4-yl)methyl]-6-(trifluoromethyl)-1,4-diazepane
CID 103371982
1-(cyclobutylmethyl)-3-ethyl-1,4-diazepane
CID 64942557
1-(pyrrolidin-3-ylmethyl)-3-(trifluoromethyl)piperidine
CID 62370892
(3R,4S)-1-(cyclopropylmethyl)-3-methyl-4-(trifluoromethyl)piperidine
CID 134195505
2-(2-cyclopropylethyl)-5-(trifluoromethyl)piperidine
CID 106779869

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxymethyl)-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperazine?
The IUPAC name of 3-(difluoromethoxymethyl)-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperazine (CID 175158336) is 3-(difluoromethoxymethyl)-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperazine.
What is the SMILES notation for 3-(difluoromethoxymethyl)-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperazine?
The canonical SMILES for 3-(difluoromethoxymethyl)-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperazine is FC(F)OCC1CN(CC2CCC(C(F)(F)F)CC2)CCN1.
What is the InChIKey of 3-(difluoromethoxymethyl)-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperazine?
The InChIKey is CZKKTNZNWBBUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F5N2O/c15-13(16)22-9-12-8-21(6-5-20-12)7-10-1-3-11(4-2-10)14(17,18)19/h10-13,20H,1-9H2.
What are the key properties of 3-(difluoromethoxymethyl)-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperazine?
3-(difluoromethoxymethyl)-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperazine has a molecular weight of 330.34 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxymethyl)-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperazine is sourced from PubChem (CID 175158336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).