(2R)-1-(cyclohexylmethyl)-2-(difluoromethyl)piperazine

C12H22F2N2 — CID 165128544

IUPAC(2R)-1-(cyclohexylmethyl)-2-(difluoromethyl)piperazine
SMILESFC(F)[C@H]1CNCCN1CC1CCCCC1
InChIInChI=1S/C12H22F2N2/c13-12(14)11-8-15-6-7-16(11)9-10-4-2-1-3-5-10/h10-12,15H,1-9H2/t11-/m1/s1
InChIKeyRSHLVCYQIJIATR-LLVKDONJSA-N
MW232.32 g/mol
LogP2.11
Rot. Bonds3

About (2R)-1-(cyclohexylmethyl)-2-(difluoromethyl)piperazine

(2R)-1-(cyclohexylmethyl)-2-(difluoromethyl)piperazine (PubChem CID 165128544) has the molecular formula C12H22F2N2 and a molecular weight of 232.32 g/mol. Its IUPAC name is (2R)-1-(cyclohexylmethyl)-2-(difluoromethyl)piperazine.

Molecular Properties

Compound Name(2R)-1-(cyclohexylmethyl)-2-(difluoromethyl)piperazine
PubChem CID165128544
Molecular FormulaC12H22F2N2
Molecular Weight232.32 g/mol
Exact Mass232.18
IUPAC Name(2R)-1-(cyclohexylmethyl)-2-(difluoromethyl)piperazine
SMILESFC(F)[C@H]1CNCCN1CC1CCCCC1
InChIInChI=1S/C12H22F2N2/c13-12(14)11-8-15-6-7-16(11)9-10-4-2-1-3-5-10/h10-12,15H,1-9H2/t11-/m1/s1
InChIKeyRSHLVCYQIJIATR-LLVKDONJSA-N
XLogP2.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(cyclohexylmethyl)-2-(difluoromethyl)piperazine?
The IUPAC name of (2R)-1-(cyclohexylmethyl)-2-(difluoromethyl)piperazine (CID 165128544) is (2R)-1-(cyclohexylmethyl)-2-(difluoromethyl)piperazine.
What is the SMILES notation for (2R)-1-(cyclohexylmethyl)-2-(difluoromethyl)piperazine?
The canonical SMILES for (2R)-1-(cyclohexylmethyl)-2-(difluoromethyl)piperazine is FC(F)[C@H]1CNCCN1CC1CCCCC1.
What is the InChIKey of (2R)-1-(cyclohexylmethyl)-2-(difluoromethyl)piperazine?
The InChIKey is RSHLVCYQIJIATR-LLVKDONJSA-N. The full InChI is InChI=1S/C12H22F2N2/c13-12(14)11-8-15-6-7-16(11)9-10-4-2-1-3-5-10/h10-12,15H,1-9H2/t11-/m1/s1.
What are the key properties of (2R)-1-(cyclohexylmethyl)-2-(difluoromethyl)piperazine?
(2R)-1-(cyclohexylmethyl)-2-(difluoromethyl)piperazine has a molecular weight of 232.32 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(cyclohexylmethyl)-2-(difluoromethyl)piperazine is sourced from PubChem (CID 165128544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).