1-[(R)-cyclobutyl-(2,3-difluorophenyl)methyl]piperazine;hydrochloride

C15H21ClF2N2 — CID 171175923

IUPAC1-[(R)-cyclobutyl-(2,3-difluorophenyl)methyl]piperazine;hydrochloride
SMILESCl.Fc1cccc([C@@H](C2CCC2)N2CCNCC2)c1F
InChIInChI=1S/C15H20F2N2.ClH/c16-13-6-2-5-12(14(13)17)15(11-3-1-4-11)19-9-7-18-8-10-19;/h2,5-6,11,15,18H,1,3-4,7-10H2;1H/t15-;/m1./s1
InChIKeyRFJJUKJSAIJJJK-XFULWGLBSA-N
MW302.80 g/mol
LogP3.13
Rot. Bonds3

About 1-[(R)-cyclobutyl-(2,3-difluorophenyl)methyl]piperazine;hydrochloride

1-[(R)-cyclobutyl-(2,3-difluorophenyl)methyl]piperazine;hydrochloride (PubChem CID 171175923) has the molecular formula C15H21ClF2N2 and a molecular weight of 302.80 g/mol. Its IUPAC name is 1-[(R)-cyclobutyl-(2,3-difluorophenyl)methyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(R)-cyclobutyl-(2,3-difluorophenyl)methyl]piperazine;hydrochloride
PubChem CID171175923
Molecular FormulaC15H21ClF2N2
Molecular Weight302.80 g/mol
Exact Mass302.14
IUPAC Name1-[(R)-cyclobutyl-(2,3-difluorophenyl)methyl]piperazine;hydrochloride
SMILESCl.Fc1cccc([C@@H](C2CCC2)N2CCNCC2)c1F
InChIInChI=1S/C15H20F2N2.ClH/c16-13-6-2-5-12(14(13)17)15(11-3-1-4-11)19-9-7-18-8-10-19;/h2,5-6,11,15,18H,1,3-4,7-10H2;1H/t15-;/m1./s1
InChIKeyRFJJUKJSAIJJJK-XFULWGLBSA-N
XLogP3.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.80
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(R)-cyclopropyl-(2,3-difluorophenyl)methyl]piperazine
CID 171289598
1-[(S)-cyclobutyl-(2,3,4-trifluorophenyl)methyl]piperazine;hydrochloride
CID 171179692
2-[(R)-cyclobutyl(piperazin-1-yl)methyl]-6-fluorophenol;hydrochloride
CID 171175033
2-[(R)-cyclobutyl(piperazin-1-yl)methyl]-6-fluorophenol
CID 171175032
1-[(S)-cyclohexyl-(2,3,4-trifluorophenyl)methyl]piperazine;hydrochloride
CID 171164946
1-[(S)-cyclopentyl-(2,3,4-trifluorophenyl)methyl]piperazine
CID 171164909
1-[(R)-(3-bromo-2-fluorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride
CID 171289324
1-[(S)-cyclobutyl-(2,6-difluorophenyl)methyl]piperazine
CID 171179290
1-[(R)-cyclopentyl-[3-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride
CID 171172374
1-[(R)-cyclopropyl-(2,3,4-trifluorophenyl)methyl]piperazine;dihydrochloride
CID 171290613
6-[(S)-cyclobutyl(piperazin-1-yl)methyl]-2,3-difluorophenol;dihydrochloride
CID 171297572
2-[(R)-cyclohexyl(piperazin-1-yl)methyl]-6-fluorophenol
CID 171168242

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-cyclobutyl-(2,3-difluorophenyl)methyl]piperazine;hydrochloride?
The IUPAC name of 1-[(R)-cyclobutyl-(2,3-difluorophenyl)methyl]piperazine;hydrochloride (CID 171175923) is 1-[(R)-cyclobutyl-(2,3-difluorophenyl)methyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(R)-cyclobutyl-(2,3-difluorophenyl)methyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(R)-cyclobutyl-(2,3-difluorophenyl)methyl]piperazine;hydrochloride is Cl.Fc1cccc([C@@H](C2CCC2)N2CCNCC2)c1F.
What is the InChIKey of 1-[(R)-cyclobutyl-(2,3-difluorophenyl)methyl]piperazine;hydrochloride?
The InChIKey is RFJJUKJSAIJJJK-XFULWGLBSA-N. The full InChI is InChI=1S/C15H20F2N2.ClH/c16-13-6-2-5-12(14(13)17)15(11-3-1-4-11)19-9-7-18-8-10-19;/h2,5-6,11,15,18H,1,3-4,7-10H2;1H/t15-;/m1./s1.
What are the key properties of 1-[(R)-cyclobutyl-(2,3-difluorophenyl)methyl]piperazine;hydrochloride?
1-[(R)-cyclobutyl-(2,3-difluorophenyl)methyl]piperazine;hydrochloride has a molecular weight of 302.80 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-cyclobutyl-(2,3-difluorophenyl)methyl]piperazine;hydrochloride is sourced from PubChem (CID 171175923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).