1-[(R)-cyclobutyl-(4-fluoro-3-methylphenyl)methyl]piperazine

C16H23FN2 — CID 95468433

IUPAC1-[(R)-cyclobutyl-(4-fluoro-3-methylphenyl)methyl]piperazine
SMILESCc1cc([C@@H](C2CCC2)N2CCNCC2)ccc1F
InChIInChI=1S/C16H23FN2/c1-12-11-14(5-6-15(12)17)16(13-3-2-4-13)19-9-7-18-8-10-19/h5-6,11,13,16,18H,2-4,7-10H2,1H3/t16-/m1/s1
InChIKeyJKSMJCAXDJIDES-MRXNPFEDSA-N
MW262.37 g/mol
LogP2.88
Rot. Bonds3

About 1-[(R)-cyclobutyl-(4-fluoro-3-methylphenyl)methyl]piperazine

1-[(R)-cyclobutyl-(4-fluoro-3-methylphenyl)methyl]piperazine (PubChem CID 95468433) has the molecular formula C16H23FN2 and a molecular weight of 262.37 g/mol. Its IUPAC name is 1-[(R)-cyclobutyl-(4-fluoro-3-methylphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(R)-cyclobutyl-(4-fluoro-3-methylphenyl)methyl]piperazine
PubChem CID95468433
Molecular FormulaC16H23FN2
Molecular Weight262.37 g/mol
Exact Mass262.18
IUPAC Name1-[(R)-cyclobutyl-(4-fluoro-3-methylphenyl)methyl]piperazine
SMILESCc1cc([C@@H](C2CCC2)N2CCNCC2)ccc1F
InChIInChI=1S/C16H23FN2/c1-12-11-14(5-6-15(12)17)16(13-3-2-4-13)19-9-7-18-8-10-19/h5-6,11,13,16,18H,2-4,7-10H2,1H3/t16-/m1/s1
InChIKeyJKSMJCAXDJIDES-MRXNPFEDSA-N
XLogP2.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(R)-cyclopropyl-(4-fluoro-3-methylphenyl)methyl]piperazine
CID 28799243
1-[(S)-cyclobutyl-(3,4-difluorophenyl)methyl]piperazine
CID 95471659
1-[(S)-cyclopentyl-(3,4-difluorophenyl)methyl]piperazine
CID 95483787
1-[(S)-(3-chloro-4-fluorophenyl)-cyclobutylmethyl]piperazine;hydrochloride
CID 171178825
1-[(S)-cyclobutyl-(4-fluoro-3-methoxyphenyl)methyl]piperazine;hydrochloride
CID 171179720
1-[(R)-(3-bromo-4-fluorophenyl)-cyclopentylmethyl]piperazine
CID 171168696
1-[(S)-cyclopentyl-(4-fluoro-3-methoxyphenyl)methyl]piperazine;hydrochloride
CID 171164961
1-[(S)-(3-chloro-4-fluorophenyl)-cyclohexylmethyl]piperazine;hydrochloride
CID 171163414
1-[(R)-cyclohexyl-(4-methoxy-3-methylphenyl)methyl]piperazine
CID 171295207
4-[(R)-cyclopentyl(piperazin-1-yl)methyl]-2-fluorophenol;hydrochloride
CID 171168177
1-[(S)-cyclobutyl-(3-methylphenyl)methyl]piperazine;dihydrochloride
CID 171280342
1-[(R)-cyclopentyl-[3-fluoro-4-(trifluoromethyl)phenyl]methyl]piperazine
CID 171171716

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-cyclobutyl-(4-fluoro-3-methylphenyl)methyl]piperazine?
The IUPAC name of 1-[(R)-cyclobutyl-(4-fluoro-3-methylphenyl)methyl]piperazine (CID 95468433) is 1-[(R)-cyclobutyl-(4-fluoro-3-methylphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(R)-cyclobutyl-(4-fluoro-3-methylphenyl)methyl]piperazine?
The canonical SMILES for 1-[(R)-cyclobutyl-(4-fluoro-3-methylphenyl)methyl]piperazine is Cc1cc([C@@H](C2CCC2)N2CCNCC2)ccc1F.
What is the InChIKey of 1-[(R)-cyclobutyl-(4-fluoro-3-methylphenyl)methyl]piperazine?
The InChIKey is JKSMJCAXDJIDES-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H23FN2/c1-12-11-14(5-6-15(12)17)16(13-3-2-4-13)19-9-7-18-8-10-19/h5-6,11,13,16,18H,2-4,7-10H2,1H3/t16-/m1/s1.
What are the key properties of 1-[(R)-cyclobutyl-(4-fluoro-3-methylphenyl)methyl]piperazine?
1-[(R)-cyclobutyl-(4-fluoro-3-methylphenyl)methyl]piperazine has a molecular weight of 262.37 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-cyclobutyl-(4-fluoro-3-methylphenyl)methyl]piperazine is sourced from PubChem (CID 95468433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).