1-[(S)-(4-tert-butylphenyl)-cyclobutylmethyl]piperazine

C19H30N2 — CID 95488327

IUPAC1-[(S)-(4-tert-butylphenyl)-cyclobutylmethyl]piperazine
SMILESCC(C)(C)c1ccc([C@H](C2CCC2)N2CCNCC2)cc1
InChIInChI=1S/C19H30N2/c1-19(2,3)17-9-7-16(8-10-17)18(15-5-4-6-15)21-13-11-20-12-14-21/h7-10,15,18,20H,4-6,11-14H2,1-3H3/t18-/m0/s1
InChIKeyKNVBIZDVYPHDMV-SFHVURJKSA-N
MW286.46 g/mol
LogP3.73
Rot. Bonds3

About 1-[(S)-(4-tert-butylphenyl)-cyclobutylmethyl]piperazine

1-[(S)-(4-tert-butylphenyl)-cyclobutylmethyl]piperazine (PubChem CID 95488327) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 1-[(S)-(4-tert-butylphenyl)-cyclobutylmethyl]piperazine.

Molecular Properties

Compound Name1-[(S)-(4-tert-butylphenyl)-cyclobutylmethyl]piperazine
PubChem CID95488327
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name1-[(S)-(4-tert-butylphenyl)-cyclobutylmethyl]piperazine
SMILESCC(C)(C)c1ccc([C@H](C2CCC2)N2CCNCC2)cc1
InChIInChI=1S/C19H30N2/c1-19(2,3)17-9-7-16(8-10-17)18(15-5-4-6-15)21-13-11-20-12-14-21/h7-10,15,18,20H,4-6,11-14H2,1-3H3/t18-/m0/s1
InChIKeyKNVBIZDVYPHDMV-SFHVURJKSA-N
XLogP3.73
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(S)-cyclobutyl-[4-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride
CID 171178431
4-[(R)-cyclobutyl(piperazin-1-yl)methyl]phenol
CID 171285182
1-[cyclobutyl(phenyl)methyl]piperazine
CID 82288990
1-[cyclobutyl-(4-methoxyphenyl)methyl]piperazine
CID 82301889
1-[(S)-cyclopentyl-[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]piperazine
CID 171166981
1-[(S)-cyclobutyl-(4-pyrrolidin-1-ylphenyl)methyl]piperazine;dihydrochloride
CID 171284553
1-[(R)-cyclopentyl-(4-methoxyphenyl)methyl]piperazine
CID 95477353
1-[(S)-cyclobutyl-[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171180074
4-[(R)-cyclopentyl(piperazin-1-yl)methyl]phenol;dihydrochloride
CID 171285185
1-[(R)-cyclobutyl-[4-(difluoromethoxy)phenyl]methyl]piperazine;hydrochloride
CID 171176375
1-[(R)-cyclopropyl-(4-propan-2-ylphenyl)methyl]piperazine;dihydrochloride
CID 171286878
1-[(R)-cyclobutyl-(4-ethoxyphenyl)methyl]piperazine;dihydrochloride
CID 171287093

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-(4-tert-butylphenyl)-cyclobutylmethyl]piperazine?
The IUPAC name of 1-[(S)-(4-tert-butylphenyl)-cyclobutylmethyl]piperazine (CID 95488327) is 1-[(S)-(4-tert-butylphenyl)-cyclobutylmethyl]piperazine.
What is the SMILES notation for 1-[(S)-(4-tert-butylphenyl)-cyclobutylmethyl]piperazine?
The canonical SMILES for 1-[(S)-(4-tert-butylphenyl)-cyclobutylmethyl]piperazine is CC(C)(C)c1ccc([C@H](C2CCC2)N2CCNCC2)cc1.
What is the InChIKey of 1-[(S)-(4-tert-butylphenyl)-cyclobutylmethyl]piperazine?
The InChIKey is KNVBIZDVYPHDMV-SFHVURJKSA-N. The full InChI is InChI=1S/C19H30N2/c1-19(2,3)17-9-7-16(8-10-17)18(15-5-4-6-15)21-13-11-20-12-14-21/h7-10,15,18,20H,4-6,11-14H2,1-3H3/t18-/m0/s1.
What are the key properties of 1-[(S)-(4-tert-butylphenyl)-cyclobutylmethyl]piperazine?
1-[(S)-(4-tert-butylphenyl)-cyclobutylmethyl]piperazine has a molecular weight of 286.46 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-(4-tert-butylphenyl)-cyclobutylmethyl]piperazine is sourced from PubChem (CID 95488327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).