1-[(R)-cyclobutyl-[4-(difluoromethoxy)phenyl]methyl]piperazine;hydrochloride

C16H23ClF2N2O — CID 171176375

IUPAC1-[(R)-cyclobutyl-[4-(difluoromethoxy)phenyl]methyl]piperazine;hydrochloride
SMILESCl.FC(F)Oc1ccc([C@@H](C2CCC2)N2CCNCC2)cc1
InChIInChI=1S/C16H22F2N2O.ClH/c17-16(18)21-14-6-4-13(5-7-14)15(12-2-1-3-12)20-10-8-19-9-11-20;/h4-7,12,15-16,19H,1-3,8-11H2;1H/t15-;/m1./s1
InChIKeyLZIMXPIJGWPLIU-XFULWGLBSA-N
MW332.82 g/mol
LogP3.46
Rot. Bonds5

About 1-[(R)-cyclobutyl-[4-(difluoromethoxy)phenyl]methyl]piperazine;hydrochloride

1-[(R)-cyclobutyl-[4-(difluoromethoxy)phenyl]methyl]piperazine;hydrochloride (PubChem CID 171176375) has the molecular formula C16H23ClF2N2O and a molecular weight of 332.82 g/mol. Its IUPAC name is 1-[(R)-cyclobutyl-[4-(difluoromethoxy)phenyl]methyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(R)-cyclobutyl-[4-(difluoromethoxy)phenyl]methyl]piperazine;hydrochloride
PubChem CID171176375
Molecular FormulaC16H23ClF2N2O
Molecular Weight332.82 g/mol
Exact Mass332.15
IUPAC Name1-[(R)-cyclobutyl-[4-(difluoromethoxy)phenyl]methyl]piperazine;hydrochloride
SMILESCl.FC(F)Oc1ccc([C@@H](C2CCC2)N2CCNCC2)cc1
InChIInChI=1S/C16H22F2N2O.ClH/c17-16(18)21-14-6-4-13(5-7-14)15(12-2-1-3-12)20-10-8-19-9-11-20;/h4-7,12,15-16,19H,1-3,8-11H2;1H/t15-;/m1./s1
InChIKeyLZIMXPIJGWPLIU-XFULWGLBSA-N
XLogP3.46
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.82
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(R)-cyclobutyl-[4-(difluoromethoxy)phenyl]methyl]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

1-[(R)-cyclohexyl-[4-(difluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171290876
1-[(R)-cyclopropyl-[4-(difluoromethoxy)phenyl]methyl]piperazine
CID 171290872
1-[(R)-[4-(difluoromethoxy)phenyl]-(oxan-4-yl)methyl]piperazine;dihydrochloride
CID 171290879
1-[cyclobutyl-(4-methoxyphenyl)methyl]piperazine
CID 82301889
1-[(S)-cyclobutyl-[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171180074
1-[(S)-cyclopropyl-(4-propan-2-yloxyphenyl)methyl]piperazine
CID 95477475
1-[(R)-cyclobutyl-(4-ethoxyphenyl)methyl]piperazine;dihydrochloride
CID 171287093
1-[(R)-cyclopentyl-[4-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride
CID 171170921
1-[(S)-cyclobutyl-(4-phenoxyphenyl)methyl]piperazine
CID 171279707
1-[(R)-cyclopentyl-(4-methoxyphenyl)methyl]piperazine
CID 95477353
1-[(S)-cyclohexyl-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171279205
1-[(R)-cyclopentyl-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171292277

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-cyclobutyl-[4-(difluoromethoxy)phenyl]methyl]piperazine;hydrochloride?
The IUPAC name of 1-[(R)-cyclobutyl-[4-(difluoromethoxy)phenyl]methyl]piperazine;hydrochloride (CID 171176375) is 1-[(R)-cyclobutyl-[4-(difluoromethoxy)phenyl]methyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(R)-cyclobutyl-[4-(difluoromethoxy)phenyl]methyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(R)-cyclobutyl-[4-(difluoromethoxy)phenyl]methyl]piperazine;hydrochloride is Cl.FC(F)Oc1ccc([C@@H](C2CCC2)N2CCNCC2)cc1.
What is the InChIKey of 1-[(R)-cyclobutyl-[4-(difluoromethoxy)phenyl]methyl]piperazine;hydrochloride?
The InChIKey is LZIMXPIJGWPLIU-XFULWGLBSA-N. The full InChI is InChI=1S/C16H22F2N2O.ClH/c17-16(18)21-14-6-4-13(5-7-14)15(12-2-1-3-12)20-10-8-19-9-11-20;/h4-7,12,15-16,19H,1-3,8-11H2;1H/t15-;/m1./s1.
What are the key properties of 1-[(R)-cyclobutyl-[4-(difluoromethoxy)phenyl]methyl]piperazine;hydrochloride?
1-[(R)-cyclobutyl-[4-(difluoromethoxy)phenyl]methyl]piperazine;hydrochloride has a molecular weight of 332.82 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-cyclobutyl-[4-(difluoromethoxy)phenyl]methyl]piperazine;hydrochloride is sourced from PubChem (CID 171176375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).