5-butan-2-yl-2-tert-butyl-1-(cyclobutylmethyl)piperazine

C17H34N2 — CID 65462273

IUPAC5-butan-2-yl-2-tert-butyl-1-(cyclobutylmethyl)piperazine
SMILESCCC(C)C1CN(CC2CCC2)C(C(C)(C)C)CN1
InChIInChI=1S/C17H34N2/c1-6-13(2)15-12-19(11-14-8-7-9-14)16(10-18-15)17(3,4)5/h13-16,18H,6-12H2,1-5H3
InChIKeyXEKVEDFQNWXMQZ-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.52
Rot. Bonds4

About 5-butan-2-yl-2-tert-butyl-1-(cyclobutylmethyl)piperazine

5-butan-2-yl-2-tert-butyl-1-(cyclobutylmethyl)piperazine (PubChem CID 65462273) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is 5-butan-2-yl-2-tert-butyl-1-(cyclobutylmethyl)piperazine.

Molecular Properties

Compound Name5-butan-2-yl-2-tert-butyl-1-(cyclobutylmethyl)piperazine
PubChem CID65462273
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name5-butan-2-yl-2-tert-butyl-1-(cyclobutylmethyl)piperazine
SMILESCCC(C)C1CN(CC2CCC2)C(C(C)(C)C)CN1
InChIInChI=1S/C17H34N2/c1-6-13(2)15-12-19(11-14-8-7-9-14)16(10-18-15)17(3,4)5/h13-16,18H,6-12H2,1-5H3
InChIKeyXEKVEDFQNWXMQZ-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butyl-1-(cyclobutylmethyl)-5-propan-2-ylpiperazine
CID 65461068
5-butan-2-yl-2-tert-butyl-1-(oxan-2-ylmethyl)piperazine
CID 64847284
5-butan-2-yl-2-tert-butyl-1-(3-ethoxypropyl)piperazine
CID 65177639
5-butan-2-yl-2-tert-butyl-1-(3,3,3-trifluoropropyl)piperazine
CID 64847087
5-butan-2-yl-2-tert-butyl-1-(4,4,4-trifluorobutyl)piperazine
CID 115518965
5-butan-2-yl-2-tert-butyl-1-[2-(2-methylpropoxy)ethyl]piperazine
CID 106458682
5-butan-2-yl-1-(cyclobutylmethyl)-2-phenylpiperazine
CID 64936913
3-butan-2-yl-1-(cyclopentylmethyl)-7-methyl-1,4-diazepane
CID 64871545
2-[(5-butan-2-yl-2-tert-butylpiperazin-1-yl)methyl]pyrimidine
CID 64849982
5-butan-2-yl-1-[(4-methylcyclohexyl)methyl]-2-propan-2-ylpiperazine
CID 64937815
2-tert-butyl-1-(cyclopropylmethyl)-5-propylpiperazine
CID 64838594
5-butan-2-yl-2-tert-butyl-1-(2-thiophen-2-ylethyl)piperazine
CID 64849403

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-2-tert-butyl-1-(cyclobutylmethyl)piperazine?
The IUPAC name of 5-butan-2-yl-2-tert-butyl-1-(cyclobutylmethyl)piperazine (CID 65462273) is 5-butan-2-yl-2-tert-butyl-1-(cyclobutylmethyl)piperazine.
What is the SMILES notation for 5-butan-2-yl-2-tert-butyl-1-(cyclobutylmethyl)piperazine?
The canonical SMILES for 5-butan-2-yl-2-tert-butyl-1-(cyclobutylmethyl)piperazine is CCC(C)C1CN(CC2CCC2)C(C(C)(C)C)CN1.
What is the InChIKey of 5-butan-2-yl-2-tert-butyl-1-(cyclobutylmethyl)piperazine?
The InChIKey is XEKVEDFQNWXMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-6-13(2)15-12-19(11-14-8-7-9-14)16(10-18-15)17(3,4)5/h13-16,18H,6-12H2,1-5H3.
What are the key properties of 5-butan-2-yl-2-tert-butyl-1-(cyclobutylmethyl)piperazine?
5-butan-2-yl-2-tert-butyl-1-(cyclobutylmethyl)piperazine has a molecular weight of 266.47 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-2-tert-butyl-1-(cyclobutylmethyl)piperazine is sourced from PubChem (CID 65462273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).