2-benzyl-1-(cyclobutylmethyl)-5-methylpiperazine

C17H26N2 — CID 65462876

IUPAC2-benzyl-1-(cyclobutylmethyl)-5-methylpiperazine
SMILESCC1CN(CC2CCC2)C(Cc2ccccc2)CN1
InChIInChI=1S/C17H26N2/c1-14-12-19(13-16-8-5-9-16)17(11-18-14)10-15-6-3-2-4-7-15/h2-4,6-7,14,16-18H,5,8-13H2,1H3
InChIKeyJSEUTTHDQCPACM-UHFFFAOYSA-N
MW258.41 g/mol
LogP2.69
Rot. Bonds4

About 2-benzyl-1-(cyclobutylmethyl)-5-methylpiperazine

2-benzyl-1-(cyclobutylmethyl)-5-methylpiperazine (PubChem CID 65462876) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 2-benzyl-1-(cyclobutylmethyl)-5-methylpiperazine.

Molecular Properties

Compound Name2-benzyl-1-(cyclobutylmethyl)-5-methylpiperazine
PubChem CID65462876
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name2-benzyl-1-(cyclobutylmethyl)-5-methylpiperazine
SMILESCC1CN(CC2CCC2)C(Cc2ccccc2)CN1
InChIInChI=1S/C17H26N2/c1-14-12-19(13-16-8-5-9-16)17(11-18-14)10-15-6-3-2-4-7-15/h2-4,6-7,14,16-18H,5,8-13H2,1H3
InChIKeyJSEUTTHDQCPACM-UHFFFAOYSA-N
XLogP2.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-(cyclobutylmethyl)-5-methylpiperazine?
The IUPAC name of 2-benzyl-1-(cyclobutylmethyl)-5-methylpiperazine (CID 65462876) is 2-benzyl-1-(cyclobutylmethyl)-5-methylpiperazine.
What is the SMILES notation for 2-benzyl-1-(cyclobutylmethyl)-5-methylpiperazine?
The canonical SMILES for 2-benzyl-1-(cyclobutylmethyl)-5-methylpiperazine is CC1CN(CC2CCC2)C(Cc2ccccc2)CN1.
What is the InChIKey of 2-benzyl-1-(cyclobutylmethyl)-5-methylpiperazine?
The InChIKey is JSEUTTHDQCPACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-14-12-19(13-16-8-5-9-16)17(11-18-14)10-15-6-3-2-4-7-15/h2-4,6-7,14,16-18H,5,8-13H2,1H3.
What are the key properties of 2-benzyl-1-(cyclobutylmethyl)-5-methylpiperazine?
2-benzyl-1-(cyclobutylmethyl)-5-methylpiperazine has a molecular weight of 258.41 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-(cyclobutylmethyl)-5-methylpiperazine is sourced from PubChem (CID 65462876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).