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

C12H23ClF2N2 — CID 165128543

IUPAC(2R)-1-(cyclohexylmethyl)-2-(difluoromethyl)piperazine;hydrochloride
SMILESCl.FC(F)[C@H]1CNCCN1CC1CCCCC1
InChIInChI=1S/C12H22F2N2.ClH/c13-12(14)11-8-15-6-7-16(11)9-10-4-2-1-3-5-10;/h10-12,15H,1-9H2;1H/t11-;/m1./s1
InChIKeyCBZKXADLVYAVPH-RFVHGSKJSA-N
MW268.78 g/mol
LogP2.53
Rot. Bonds3

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

(2R)-1-(cyclohexylmethyl)-2-(difluoromethyl)piperazine;hydrochloride (PubChem CID 165128543) has the molecular formula C12H23ClF2N2 and a molecular weight of 268.78 g/mol. Its IUPAC name is (2R)-1-(cyclohexylmethyl)-2-(difluoromethyl)piperazine;hydrochloride.

Molecular Properties

Compound Name(2R)-1-(cyclohexylmethyl)-2-(difluoromethyl)piperazine;hydrochloride
PubChem CID165128543
Molecular FormulaC12H23ClF2N2
Molecular Weight268.78 g/mol
Exact Mass268.15
IUPAC Name(2R)-1-(cyclohexylmethyl)-2-(difluoromethyl)piperazine;hydrochloride
SMILESCl.FC(F)[C@H]1CNCCN1CC1CCCCC1
InChIInChI=1S/C12H22F2N2.ClH/c13-12(14)11-8-15-6-7-16(11)9-10-4-2-1-3-5-10;/h10-12,15H,1-9H2;1H/t11-;/m1./s1
InChIKeyCBZKXADLVYAVPH-RFVHGSKJSA-N
XLogP2.53
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.78
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R)-1-(cyclohexylmethyl)-2-(difluoromethyl)piperazine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(difluoromethyl)-1-(oxan-4-ylmethyl)piperazine
CID 174203443
1-(oxan-3-ylmethyl)-2-propan-2-ylpiperazine
CID 79001513
1-(cyclopentylmethyl)-2-phenylpiperazine
CID 64832948
2,2,2-trifluoro-1-[1-(piperidin-3-ylmethyl)piperidin-2-yl]ethanol
CID 120849117
(2R)-2-methyl-1-(oxan-3-ylmethyl)piperazine;hydrochloride
CID 130678897
1-(cyclohexylmethyl)piperazine;hydrobromide
CID 71323423
1-(cyclohexylmethyl)piperazine;piperazine
CID 66986907
N-(2-adamantyl)-1-(cyclopentylmethyl)piperazine-2-carboxamide
CID 69335963
1-(cyclohexylmethyl)-2-(1-methylimidazol-2-yl)piperazine
CID 120871025
1-[(2-methylcyclopentyl)methyl]-2-propan-2-ylpiperazine
CID 107420870
1-(cyclobutylmethyl)-2-phenylpiperazine
CID 64936519
[1-(cyclohexylmethyl)imidazolidin-2-yl]methanamine
CID 140797410

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(cyclohexylmethyl)-2-(difluoromethyl)piperazine;hydrochloride?
The IUPAC name of (2R)-1-(cyclohexylmethyl)-2-(difluoromethyl)piperazine;hydrochloride (CID 165128543) is (2R)-1-(cyclohexylmethyl)-2-(difluoromethyl)piperazine;hydrochloride.
What is the SMILES notation for (2R)-1-(cyclohexylmethyl)-2-(difluoromethyl)piperazine;hydrochloride?
The canonical SMILES for (2R)-1-(cyclohexylmethyl)-2-(difluoromethyl)piperazine;hydrochloride is Cl.FC(F)[C@H]1CNCCN1CC1CCCCC1.
What is the InChIKey of (2R)-1-(cyclohexylmethyl)-2-(difluoromethyl)piperazine;hydrochloride?
The InChIKey is CBZKXADLVYAVPH-RFVHGSKJSA-N. The full InChI is InChI=1S/C12H22F2N2.ClH/c13-12(14)11-8-15-6-7-16(11)9-10-4-2-1-3-5-10;/h10-12,15H,1-9H2;1H/t11-;/m1./s1.
What are the key properties of (2R)-1-(cyclohexylmethyl)-2-(difluoromethyl)piperazine;hydrochloride?
(2R)-1-(cyclohexylmethyl)-2-(difluoromethyl)piperazine;hydrochloride has a molecular weight of 268.78 g/mol, XLogP of 2.53, 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;hydrochloride is sourced from PubChem (CID 165128543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).