1-[(R)-(2-chloro-6-methylphenyl)-cyclobutylmethyl]piperazine

C16H23ClN2 — CID 171293453

IUPAC1-[(R)-(2-chloro-6-methylphenyl)-cyclobutylmethyl]piperazine
SMILESCc1cccc(Cl)c1[C@@H](C1CCC1)N1CCNCC1
InChIInChI=1S/C16H23ClN2/c1-12-4-2-7-14(17)15(12)16(13-5-3-6-13)19-10-8-18-9-11-19/h2,4,7,13,16,18H,3,5-6,8-11H2,1H3/t16-/m1/s1
InChIKeySJQUONJUMOPPSF-MRXNPFEDSA-N
MW278.83 g/mol
LogP3.39
Rot. Bonds3

About 1-[(R)-(2-chloro-6-methylphenyl)-cyclobutylmethyl]piperazine

1-[(R)-(2-chloro-6-methylphenyl)-cyclobutylmethyl]piperazine (PubChem CID 171293453) has the molecular formula C16H23ClN2 and a molecular weight of 278.83 g/mol. Its IUPAC name is 1-[(R)-(2-chloro-6-methylphenyl)-cyclobutylmethyl]piperazine.

Molecular Properties

Compound Name1-[(R)-(2-chloro-6-methylphenyl)-cyclobutylmethyl]piperazine
PubChem CID171293453
Molecular FormulaC16H23ClN2
Molecular Weight278.83 g/mol
Exact Mass278.15
IUPAC Name1-[(R)-(2-chloro-6-methylphenyl)-cyclobutylmethyl]piperazine
SMILESCc1cccc(Cl)c1[C@@H](C1CCC1)N1CCNCC1
InChIInChI=1S/C16H23ClN2/c1-12-4-2-7-14(17)15(12)16(13-5-3-6-13)19-10-8-18-9-11-19/h2,4,7,13,16,18H,3,5-6,8-11H2,1H3/t16-/m1/s1
InChIKeySJQUONJUMOPPSF-MRXNPFEDSA-N
XLogP3.39
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.83
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(S)-(2-chloro-6-methylphenyl)-cyclopentylmethyl]piperazine
CID 171280833
1-[(S)-cyclohexyl-(2,6-dimethylphenyl)methyl]piperazine
CID 171277119
1-[(S)-(2-chloro-6-fluorophenyl)-cyclohexylmethyl]piperazine
CID 171163179
1-[(S)-cyclobutyl-(2,6-difluorophenyl)methyl]piperazine
CID 171179290
6-bromo-3-chloro-2-[(R)-cyclobutyl(piperazin-1-yl)methyl]phenol
CID 171299930
1-[(S)-cyclopentyl-(2-methylphenyl)methyl]piperazine
CID 171280314
3-chloro-2-[(S)-cyclobutyl(piperazin-1-yl)methyl]-6-fluorophenol
CID 171297931
1-[(R)-(2-chloro-6-fluoro-3-methylphenyl)-cyclopentylmethyl]piperazine
CID 171171851
1-[(S)-cyclohexyl-(2,3-dimethylphenyl)methyl]piperazine;dihydrochloride
CID 171275812
1-[(S)-(2-chloro-3,6-difluorophenyl)-cyclobutylmethyl]piperazine
CID 171180450
1-[(R)-(3-chloro-2,6-difluorophenyl)-cyclobutylmethyl]piperazine;hydrochloride
CID 171176993
1-[(S)-(3-chloro-2,6-difluorophenyl)-cyclobutylmethyl]piperazine;hydrochloride
CID 171180317

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-(2-chloro-6-methylphenyl)-cyclobutylmethyl]piperazine?
The IUPAC name of 1-[(R)-(2-chloro-6-methylphenyl)-cyclobutylmethyl]piperazine (CID 171293453) is 1-[(R)-(2-chloro-6-methylphenyl)-cyclobutylmethyl]piperazine.
What is the SMILES notation for 1-[(R)-(2-chloro-6-methylphenyl)-cyclobutylmethyl]piperazine?
The canonical SMILES for 1-[(R)-(2-chloro-6-methylphenyl)-cyclobutylmethyl]piperazine is Cc1cccc(Cl)c1[C@@H](C1CCC1)N1CCNCC1.
What is the InChIKey of 1-[(R)-(2-chloro-6-methylphenyl)-cyclobutylmethyl]piperazine?
The InChIKey is SJQUONJUMOPPSF-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H23ClN2/c1-12-4-2-7-14(17)15(12)16(13-5-3-6-13)19-10-8-18-9-11-19/h2,4,7,13,16,18H,3,5-6,8-11H2,1H3/t16-/m1/s1.
What are the key properties of 1-[(R)-(2-chloro-6-methylphenyl)-cyclobutylmethyl]piperazine?
1-[(R)-(2-chloro-6-methylphenyl)-cyclobutylmethyl]piperazine has a molecular weight of 278.83 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-(2-chloro-6-methylphenyl)-cyclobutylmethyl]piperazine is sourced from PubChem (CID 171293453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).