1-[2-(difluoromethyl)-4-methylcyclohexyl]-4-(oxetan-3-yl)piperazine

C15H26F2N2O — CID 149322096

IUPAC1-[2-(difluoromethyl)-4-methylcyclohexyl]-4-(oxetan-3-yl)piperazine
SMILESCC1CCC(N2CCN(C3COC3)CC2)C(C(F)F)C1
InChIInChI=1S/C15H26F2N2O/c1-11-2-3-14(13(8-11)15(16)17)19-6-4-18(5-7-19)12-9-20-10-12/h11-15H,2-10H2,1H3
InChIKeyYIJQQQIHXQEJGB-UHFFFAOYSA-N
MW288.38 g/mol
LogP2.07
Rot. Bonds3

About 1-[2-(difluoromethyl)-4-methylcyclohexyl]-4-(oxetan-3-yl)piperazine

1-[2-(difluoromethyl)-4-methylcyclohexyl]-4-(oxetan-3-yl)piperazine (PubChem CID 149322096) has the molecular formula C15H26F2N2O and a molecular weight of 288.38 g/mol. Its IUPAC name is 1-[2-(difluoromethyl)-4-methylcyclohexyl]-4-(oxetan-3-yl)piperazine.

Molecular Properties

Compound Name1-[2-(difluoromethyl)-4-methylcyclohexyl]-4-(oxetan-3-yl)piperazine
PubChem CID149322096
Molecular FormulaC15H26F2N2O
Molecular Weight288.38 g/mol
Exact Mass288.20
IUPAC Name1-[2-(difluoromethyl)-4-methylcyclohexyl]-4-(oxetan-3-yl)piperazine
SMILESCC1CCC(N2CCN(C3COC3)CC2)C(C(F)F)C1
InChIInChI=1S/C15H26F2N2O/c1-11-2-3-14(13(8-11)15(16)17)19-6-4-18(5-7-19)12-9-20-10-12/h11-15H,2-10H2,1H3
InChIKeyYIJQQQIHXQEJGB-UHFFFAOYSA-N
XLogP2.07
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethyl)-4-methylcyclohexyl]-4-(oxetan-3-yl)piperazine?
The IUPAC name of 1-[2-(difluoromethyl)-4-methylcyclohexyl]-4-(oxetan-3-yl)piperazine (CID 149322096) is 1-[2-(difluoromethyl)-4-methylcyclohexyl]-4-(oxetan-3-yl)piperazine.
What is the SMILES notation for 1-[2-(difluoromethyl)-4-methylcyclohexyl]-4-(oxetan-3-yl)piperazine?
The canonical SMILES for 1-[2-(difluoromethyl)-4-methylcyclohexyl]-4-(oxetan-3-yl)piperazine is CC1CCC(N2CCN(C3COC3)CC2)C(C(F)F)C1.
What is the InChIKey of 1-[2-(difluoromethyl)-4-methylcyclohexyl]-4-(oxetan-3-yl)piperazine?
The InChIKey is YIJQQQIHXQEJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F2N2O/c1-11-2-3-14(13(8-11)15(16)17)19-6-4-18(5-7-19)12-9-20-10-12/h11-15H,2-10H2,1H3.
What are the key properties of 1-[2-(difluoromethyl)-4-methylcyclohexyl]-4-(oxetan-3-yl)piperazine?
1-[2-(difluoromethyl)-4-methylcyclohexyl]-4-(oxetan-3-yl)piperazine has a molecular weight of 288.38 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethyl)-4-methylcyclohexyl]-4-(oxetan-3-yl)piperazine is sourced from PubChem (CID 149322096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).