2-tert-butyl-1-(cyclobutylmethyl)-5-propan-2-ylpiperazine

C16H32N2 — CID 65461068

IUPAC2-tert-butyl-1-(cyclobutylmethyl)-5-propan-2-ylpiperazine
SMILESCC(C)C1CN(CC2CCC2)C(C(C)(C)C)CN1
InChIInChI=1S/C16H32N2/c1-12(2)14-11-18(10-13-7-6-8-13)15(9-17-14)16(3,4)5/h12-15,17H,6-11H2,1-5H3
InChIKeyKUZWUVPWRWGALE-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.13
Rot. Bonds3

About 2-tert-butyl-1-(cyclobutylmethyl)-5-propan-2-ylpiperazine

2-tert-butyl-1-(cyclobutylmethyl)-5-propan-2-ylpiperazine (PubChem CID 65461068) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 2-tert-butyl-1-(cyclobutylmethyl)-5-propan-2-ylpiperazine.

Molecular Properties

Compound Name2-tert-butyl-1-(cyclobutylmethyl)-5-propan-2-ylpiperazine
PubChem CID65461068
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name2-tert-butyl-1-(cyclobutylmethyl)-5-propan-2-ylpiperazine
SMILESCC(C)C1CN(CC2CCC2)C(C(C)(C)C)CN1
InChIInChI=1S/C16H32N2/c1-12(2)14-11-18(10-13-7-6-8-13)15(9-17-14)16(3,4)5/h12-15,17H,6-11H2,1-5H3
InChIKeyKUZWUVPWRWGALE-UHFFFAOYSA-N
XLogP3.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-(cyclobutylmethyl)-5-propan-2-ylpiperazine?
The IUPAC name of 2-tert-butyl-1-(cyclobutylmethyl)-5-propan-2-ylpiperazine (CID 65461068) is 2-tert-butyl-1-(cyclobutylmethyl)-5-propan-2-ylpiperazine.
What is the SMILES notation for 2-tert-butyl-1-(cyclobutylmethyl)-5-propan-2-ylpiperazine?
The canonical SMILES for 2-tert-butyl-1-(cyclobutylmethyl)-5-propan-2-ylpiperazine is CC(C)C1CN(CC2CCC2)C(C(C)(C)C)CN1.
What is the InChIKey of 2-tert-butyl-1-(cyclobutylmethyl)-5-propan-2-ylpiperazine?
The InChIKey is KUZWUVPWRWGALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-12(2)14-11-18(10-13-7-6-8-13)15(9-17-14)16(3,4)5/h12-15,17H,6-11H2,1-5H3.
What are the key properties of 2-tert-butyl-1-(cyclobutylmethyl)-5-propan-2-ylpiperazine?
2-tert-butyl-1-(cyclobutylmethyl)-5-propan-2-ylpiperazine has a molecular weight of 252.45 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-(cyclobutylmethyl)-5-propan-2-ylpiperazine is sourced from PubChem (CID 65461068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).