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

C14H24ClF5N2O — CID 156774284

IUPAC(3S)-3-(difluoromethoxymethyl)-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperazine;hydrochloride
SMILESCl.FC(F)OC[C@@H]1CN(CC2CCC(C(F)(F)F)CC2)CCN1
InChIInChI=1S/C14H23F5N2O.ClH/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;1H/t10?,11?,12-;/m0./s1
InChIKeyLSIBBHDVPZLHSZ-NCFWSNONSA-N
MW366.80 g/mol
LogP3.29
Rot. Bonds5

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

(3S)-3-(difluoromethoxymethyl)-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperazine;hydrochloride (PubChem CID 156774284) has the molecular formula C14H24ClF5N2O and a molecular weight of 366.80 g/mol. Its IUPAC name is (3S)-3-(difluoromethoxymethyl)-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperazine;hydrochloride.

Molecular Properties

Compound Name(3S)-3-(difluoromethoxymethyl)-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperazine;hydrochloride
PubChem CID156774284
Molecular FormulaC14H24ClF5N2O
Molecular Weight366.80 g/mol
Exact Mass366.15
IUPAC Name(3S)-3-(difluoromethoxymethyl)-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperazine;hydrochloride
SMILESCl.FC(F)OC[C@@H]1CN(CC2CCC(C(F)(F)F)CC2)CCN1
InChIInChI=1S/C14H23F5N2O.ClH/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;1H/t10?,11?,12-;/m0./s1
InChIKeyLSIBBHDVPZLHSZ-NCFWSNONSA-N
XLogP3.29
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.80
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(difluoromethoxymethyl)-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperazine;hydrochloride?
The IUPAC name of (3S)-3-(difluoromethoxymethyl)-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperazine;hydrochloride (CID 156774284) is (3S)-3-(difluoromethoxymethyl)-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperazine;hydrochloride.
What is the SMILES notation for (3S)-3-(difluoromethoxymethyl)-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperazine;hydrochloride?
The canonical SMILES for (3S)-3-(difluoromethoxymethyl)-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperazine;hydrochloride is Cl.FC(F)OC[C@@H]1CN(CC2CCC(C(F)(F)F)CC2)CCN1.
What is the InChIKey of (3S)-3-(difluoromethoxymethyl)-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperazine;hydrochloride?
The InChIKey is LSIBBHDVPZLHSZ-NCFWSNONSA-N. The full InChI is InChI=1S/C14H23F5N2O.ClH/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;1H/t10?,11?,12-;/m0./s1.
What are the key properties of (3S)-3-(difluoromethoxymethyl)-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperazine;hydrochloride?
(3S)-3-(difluoromethoxymethyl)-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperazine;hydrochloride has a molecular weight of 366.80 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(difluoromethoxymethyl)-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperazine;hydrochloride is sourced from PubChem (CID 156774284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).