1-[(4,4-difluorocyclohexyl)methyl]-3-(difluoromethoxymethyl)piperazine;hydrochloride

C13H23ClF4N2O — CID 175147385

IUPAC1-[(4,4-difluorocyclohexyl)methyl]-3-(difluoromethoxymethyl)piperazine;hydrochloride
SMILESCl.FC(F)OCC1CN(CC2CCC(F)(F)CC2)CCN1
InChIInChI=1S/C13H22F4N2O.ClH/c14-12(15)20-9-11-8-19(6-5-18-11)7-10-1-3-13(16,17)4-2-10;/h10-12,18H,1-9H2;1H
InChIKeyHILXZAFMUJNXJS-UHFFFAOYSA-N
MW334.79 g/mol
LogP2.75
Rot. Bonds5

About 1-[(4,4-difluorocyclohexyl)methyl]-3-(difluoromethoxymethyl)piperazine;hydrochloride

1-[(4,4-difluorocyclohexyl)methyl]-3-(difluoromethoxymethyl)piperazine;hydrochloride (PubChem CID 175147385) has the molecular formula C13H23ClF4N2O and a molecular weight of 334.79 g/mol. Its IUPAC name is 1-[(4,4-difluorocyclohexyl)methyl]-3-(difluoromethoxymethyl)piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(4,4-difluorocyclohexyl)methyl]-3-(difluoromethoxymethyl)piperazine;hydrochloride
PubChem CID175147385
Molecular FormulaC13H23ClF4N2O
Molecular Weight334.79 g/mol
Exact Mass334.14
IUPAC Name1-[(4,4-difluorocyclohexyl)methyl]-3-(difluoromethoxymethyl)piperazine;hydrochloride
SMILESCl.FC(F)OCC1CN(CC2CCC(F)(F)CC2)CCN1
InChIInChI=1S/C13H22F4N2O.ClH/c14-12(15)20-9-11-8-19(6-5-18-11)7-10-1-3-13(16,17)4-2-10;/h10-12,18H,1-9H2;1H
InChIKeyHILXZAFMUJNXJS-UHFFFAOYSA-N
XLogP2.75
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.79
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4,4-difluorocyclohexyl)methyl]-3-(difluoromethoxymethyl)piperazine;hydrochloride?
The IUPAC name of 1-[(4,4-difluorocyclohexyl)methyl]-3-(difluoromethoxymethyl)piperazine;hydrochloride (CID 175147385) is 1-[(4,4-difluorocyclohexyl)methyl]-3-(difluoromethoxymethyl)piperazine;hydrochloride.
What is the SMILES notation for 1-[(4,4-difluorocyclohexyl)methyl]-3-(difluoromethoxymethyl)piperazine;hydrochloride?
The canonical SMILES for 1-[(4,4-difluorocyclohexyl)methyl]-3-(difluoromethoxymethyl)piperazine;hydrochloride is Cl.FC(F)OCC1CN(CC2CCC(F)(F)CC2)CCN1.
What is the InChIKey of 1-[(4,4-difluorocyclohexyl)methyl]-3-(difluoromethoxymethyl)piperazine;hydrochloride?
The InChIKey is HILXZAFMUJNXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F4N2O.ClH/c14-12(15)20-9-11-8-19(6-5-18-11)7-10-1-3-13(16,17)4-2-10;/h10-12,18H,1-9H2;1H.
What are the key properties of 1-[(4,4-difluorocyclohexyl)methyl]-3-(difluoromethoxymethyl)piperazine;hydrochloride?
1-[(4,4-difluorocyclohexyl)methyl]-3-(difluoromethoxymethyl)piperazine;hydrochloride has a molecular weight of 334.79 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,4-difluorocyclohexyl)methyl]-3-(difluoromethoxymethyl)piperazine;hydrochloride is sourced from PubChem (CID 175147385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).