1-[(S)-cyclobutyl-(2,5-dimethylphenyl)methyl]piperazine

C17H26N2 — CID 95465787

IUPAC1-[(S)-cyclobutyl-(2,5-dimethylphenyl)methyl]piperazine
SMILESCc1ccc(C)c([C@H](C2CCC2)N2CCNCC2)c1
InChIInChI=1S/C17H26N2/c1-13-6-7-14(2)16(12-13)17(15-4-3-5-15)19-10-8-18-9-11-19/h6-7,12,15,17-18H,3-5,8-11H2,1-2H3/t17-/m0/s1
InChIKeyHOSOKJYKQXZPJR-KRWDZBQOSA-N
MW258.41 g/mol
LogP3.05
Rot. Bonds3

About 1-[(S)-cyclobutyl-(2,5-dimethylphenyl)methyl]piperazine

1-[(S)-cyclobutyl-(2,5-dimethylphenyl)methyl]piperazine (PubChem CID 95465787) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 1-[(S)-cyclobutyl-(2,5-dimethylphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(S)-cyclobutyl-(2,5-dimethylphenyl)methyl]piperazine
PubChem CID95465787
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name1-[(S)-cyclobutyl-(2,5-dimethylphenyl)methyl]piperazine
SMILESCc1ccc(C)c([C@H](C2CCC2)N2CCNCC2)c1
InChIInChI=1S/C17H26N2/c1-13-6-7-14(2)16(12-13)17(15-4-3-5-15)19-10-8-18-9-11-19/h6-7,12,15,17-18H,3-5,8-11H2,1-2H3/t17-/m0/s1
InChIKeyHOSOKJYKQXZPJR-KRWDZBQOSA-N
XLogP3.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(S)-cyclopentyl-(2,5-dimethylphenyl)methyl]piperazine;dihydrochloride
CID 171283985
2-[(R)-cyclobutyl(piperazin-1-yl)methyl]-4-methylphenol
CID 171288260
1-[(R)-cyclopentyl-(2,4-dimethylphenyl)methyl]piperazine
CID 95475271
1-[(S)-cyclobutyl-(5-fluoro-2-methylphenyl)methyl]piperazine;dihydrochloride
CID 171277175
2-[(S)-cyclobutyl(piperazin-1-yl)methyl]-5-methylphenol
CID 171281745
1-[(R)-cyclohexyl-(2-fluoro-5-methylphenyl)methyl]piperazine;hydrochloride
CID 171169463
1-[(S)-cyclopentyl-(2-methylphenyl)methyl]piperazine
CID 171280314
1-[(S)-cyclobutyl-(4-fluoro-2-methylphenyl)methyl]piperazine;dihydrochloride
CID 171275263
1-[(S)-cyclobutyl-(3-methylphenyl)methyl]piperazine;dihydrochloride
CID 171280342
1-[(S)-cyclobutyl-(4-methoxy-2-methylphenyl)methyl]piperazine;dihydrochloride
CID 171282616
1-[(R)-(4-chloro-2-methylphenyl)-cyclopentylmethyl]piperazine;dihydrochloride
CID 171294012
1-[(S)-cyclopentyl-(2,4,6-trimethylphenyl)methyl]piperazine;dihydrochloride
CID 171277961

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-cyclobutyl-(2,5-dimethylphenyl)methyl]piperazine?
The IUPAC name of 1-[(S)-cyclobutyl-(2,5-dimethylphenyl)methyl]piperazine (CID 95465787) is 1-[(S)-cyclobutyl-(2,5-dimethylphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(S)-cyclobutyl-(2,5-dimethylphenyl)methyl]piperazine?
The canonical SMILES for 1-[(S)-cyclobutyl-(2,5-dimethylphenyl)methyl]piperazine is Cc1ccc(C)c([C@H](C2CCC2)N2CCNCC2)c1.
What is the InChIKey of 1-[(S)-cyclobutyl-(2,5-dimethylphenyl)methyl]piperazine?
The InChIKey is HOSOKJYKQXZPJR-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H26N2/c1-13-6-7-14(2)16(12-13)17(15-4-3-5-15)19-10-8-18-9-11-19/h6-7,12,15,17-18H,3-5,8-11H2,1-2H3/t17-/m0/s1.
What are the key properties of 1-[(S)-cyclobutyl-(2,5-dimethylphenyl)methyl]piperazine?
1-[(S)-cyclobutyl-(2,5-dimethylphenyl)methyl]piperazine has a molecular weight of 258.41 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-cyclobutyl-(2,5-dimethylphenyl)methyl]piperazine is sourced from PubChem (CID 95465787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).