1-(2,2-difluoroethyl)-4-(4-methylcyclohexyl)piperazine

C13H24F2N2 — CID 118553699

IUPAC1-(2,2-difluoroethyl)-4-(4-methylcyclohexyl)piperazine
SMILESCC1CCC(N2CCN(CC(F)F)CC2)CC1
InChIInChI=1S/C13H24F2N2/c1-11-2-4-12(5-3-11)17-8-6-16(7-9-17)10-13(14)15/h11-13H,2-10H2,1H3
InChIKeyBONOUDGXPJNQKJ-UHFFFAOYSA-N
MW246.34 g/mol
LogP2.45
Rot. Bonds3

About 1-(2,2-difluoroethyl)-4-(4-methylcyclohexyl)piperazine

1-(2,2-difluoroethyl)-4-(4-methylcyclohexyl)piperazine (PubChem CID 118553699) has the molecular formula C13H24F2N2 and a molecular weight of 246.34 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-4-(4-methylcyclohexyl)piperazine.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-4-(4-methylcyclohexyl)piperazine
PubChem CID118553699
Molecular FormulaC13H24F2N2
Molecular Weight246.34 g/mol
Exact Mass246.19
IUPAC Name1-(2,2-difluoroethyl)-4-(4-methylcyclohexyl)piperazine
SMILESCC1CCC(N2CCN(CC(F)F)CC2)CC1
InChIInChI=1S/C13H24F2N2/c1-11-2-4-12(5-3-11)17-8-6-16(7-9-17)10-13(14)15/h11-13H,2-10H2,1H3
InChIKeyBONOUDGXPJNQKJ-UHFFFAOYSA-N
XLogP2.45
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,1-dimethyl-N-(4-methylcyclohexyl)-4-piperidinamine
CID 2846435
1-Ethyl-4-(4-ethylcyclohexyl)piperazine
CID 782189
Piperazine, 1-ethyl-4-(4-methylcyclohexyl)-(9CI)
CID 784289
1-Methyl-4-(4-methylcyclohexyl)piperazine
CID 783882
Piperazine, 1-ethyl-4-(3-methylcyclohexyl)-(9CI)
CID 2846411
N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 119043952
4-Butyl-1-(4-fluorocyclohexyl)piperidine
CID 20268602
2,2,3,3,4,4,5,5,6,6-Decafluoro-1-(4-methylcyclohexyl)piperidine
CID 22501126
1-Methyl-4-[4-(3,3,3-trifluoropropyl)cyclohexyl]piperazine
CID 58235978
N,4-dimethyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine
CID 58395110
4,4-Difluoro-1-(4-propan-2-ylcyclohexyl)piperidine
CID 58395152
4,4-Difluoro-1-(4-methylcyclohexyl)piperidine
CID 58395271

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-4-(4-methylcyclohexyl)piperazine?
The IUPAC name of 1-(2,2-difluoroethyl)-4-(4-methylcyclohexyl)piperazine (CID 118553699) is 1-(2,2-difluoroethyl)-4-(4-methylcyclohexyl)piperazine.
What is the SMILES notation for 1-(2,2-difluoroethyl)-4-(4-methylcyclohexyl)piperazine?
The canonical SMILES for 1-(2,2-difluoroethyl)-4-(4-methylcyclohexyl)piperazine is CC1CCC(N2CCN(CC(F)F)CC2)CC1.
What is the InChIKey of 1-(2,2-difluoroethyl)-4-(4-methylcyclohexyl)piperazine?
The InChIKey is BONOUDGXPJNQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F2N2/c1-11-2-4-12(5-3-11)17-8-6-16(7-9-17)10-13(14)15/h11-13H,2-10H2,1H3.
What are the key properties of 1-(2,2-difluoroethyl)-4-(4-methylcyclohexyl)piperazine?
1-(2,2-difluoroethyl)-4-(4-methylcyclohexyl)piperazine has a molecular weight of 246.34 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-4-(4-methylcyclohexyl)piperazine is sourced from PubChem (CID 118553699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).