1-(cyclobutylmethyl)-2,2,5-trimethyl-5-phenylpiperazine

C18H28N2 — CID 65462888

IUPAC1-(cyclobutylmethyl)-2,2,5-trimethyl-5-phenylpiperazine
SMILESCC1(c2ccccc2)CN(CC2CCC2)C(C)(C)CN1
InChIInChI=1S/C18H28N2/c1-17(2)13-19-18(3,16-10-5-4-6-11-16)14-20(17)12-15-8-7-9-15/h4-6,10-11,15,19H,7-9,12-14H2,1-3H3
InChIKeyWYSIYDJVDYCXIS-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.39
Rot. Bonds3

About 1-(cyclobutylmethyl)-2,2,5-trimethyl-5-phenylpiperazine

1-(cyclobutylmethyl)-2,2,5-trimethyl-5-phenylpiperazine (PubChem CID 65462888) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-2,2,5-trimethyl-5-phenylpiperazine.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-2,2,5-trimethyl-5-phenylpiperazine
PubChem CID65462888
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name1-(cyclobutylmethyl)-2,2,5-trimethyl-5-phenylpiperazine
SMILESCC1(c2ccccc2)CN(CC2CCC2)C(C)(C)CN1
InChIInChI=1S/C18H28N2/c1-17(2)13-19-18(3,16-10-5-4-6-11-16)14-20(17)12-15-8-7-9-15/h4-6,10-11,15,19H,7-9,12-14H2,1-3H3
InChIKeyWYSIYDJVDYCXIS-UHFFFAOYSA-N
XLogP3.39
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methoxybutyl)-2,2,5-trimethyl-5-phenylpiperazine
CID 104650316
2,2,5-trimethyl-1-(4-methylpentyl)-5-phenylpiperazine
CID 83149537
2,2,5-trimethyl-5-phenyl-1-(thiophen-2-ylmethyl)piperazine
CID 64862496
1-(cyclopentylmethyl)-2-ethyl-5-methyl-5-phenylpiperazine
CID 64861936
2,2,5-trimethyl-5-phenyl-1-propan-2-ylpiperazine
CID 64860009
6-(2-methoxyethyl)-8-methyl-8-phenyl-6,9-diazaspiro[4.5]decane
CID 64862516
2-cyclopropyl-1,2,5-trimethyl-5-phenylpiperazine
CID 64860583
2-ethyl-1-(2-methoxyethyl)-2,5-dimethyl-5-phenylpiperazine
CID 64862506
6-(2,2-difluoroethyl)-8-methyl-8-phenyl-6,9-diazaspiro[4.5]decane
CID 64860392
3-methyl-1-(oxan-4-ylmethyl)-3-phenylpiperazine
CID 64833278
1-(2-cyclohexylethyl)-3-methyl-3-phenylpiperazine
CID 64925110
2-ethyl-1-(2-fluoroethyl)-2,5-dimethyl-5-phenylpiperazine
CID 80696442

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-2,2,5-trimethyl-5-phenylpiperazine?
The IUPAC name of 1-(cyclobutylmethyl)-2,2,5-trimethyl-5-phenylpiperazine (CID 65462888) is 1-(cyclobutylmethyl)-2,2,5-trimethyl-5-phenylpiperazine.
What is the SMILES notation for 1-(cyclobutylmethyl)-2,2,5-trimethyl-5-phenylpiperazine?
The canonical SMILES for 1-(cyclobutylmethyl)-2,2,5-trimethyl-5-phenylpiperazine is CC1(c2ccccc2)CN(CC2CCC2)C(C)(C)CN1.
What is the InChIKey of 1-(cyclobutylmethyl)-2,2,5-trimethyl-5-phenylpiperazine?
The InChIKey is WYSIYDJVDYCXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-17(2)13-19-18(3,16-10-5-4-6-11-16)14-20(17)12-15-8-7-9-15/h4-6,10-11,15,19H,7-9,12-14H2,1-3H3.
What are the key properties of 1-(cyclobutylmethyl)-2,2,5-trimethyl-5-phenylpiperazine?
1-(cyclobutylmethyl)-2,2,5-trimethyl-5-phenylpiperazine has a molecular weight of 272.44 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-(cyclobutylmethyl)-2,2,5-trimethyl-5-phenylpiperazine is sourced from PubChem (CID 65462888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).