1-tert-butyl-4-[2-[3-[(2-methylpropan-2-yl)oxymethyl]cyclobutyl]ethyl]piperazine

C19H38N2O — CID 135165060

IUPAC1-tert-butyl-4-[2-[3-[(2-methylpropan-2-yl)oxymethyl]cyclobutyl]ethyl]piperazine
SMILESCC(C)(C)OCC1CC(CCN2CCN(C(C)(C)C)CC2)C1
InChIInChI=1S/C19H38N2O/c1-18(2,3)21-11-9-20(10-12-21)8-7-16-13-17(14-16)15-22-19(4,5)6/h16-17H,7-15H2,1-6H3
InChIKeyDXEAXNKYCYVJTN-UHFFFAOYSA-N
MW310.53 g/mol
LogP3.63
Rot. Bonds5

About 1-tert-butyl-4-[2-[3-[(2-methylpropan-2-yl)oxymethyl]cyclobutyl]ethyl]piperazine

1-tert-butyl-4-[2-[3-[(2-methylpropan-2-yl)oxymethyl]cyclobutyl]ethyl]piperazine (PubChem CID 135165060) has the molecular formula C19H38N2O and a molecular weight of 310.53 g/mol. Its IUPAC name is 1-tert-butyl-4-[2-[3-[(2-methylpropan-2-yl)oxymethyl]cyclobutyl]ethyl]piperazine.

Molecular Properties

Compound Name1-tert-butyl-4-[2-[3-[(2-methylpropan-2-yl)oxymethyl]cyclobutyl]ethyl]piperazine
PubChem CID135165060
Molecular FormulaC19H38N2O
Molecular Weight310.53 g/mol
Exact Mass310.30
IUPAC Name1-tert-butyl-4-[2-[3-[(2-methylpropan-2-yl)oxymethyl]cyclobutyl]ethyl]piperazine
SMILESCC(C)(C)OCC1CC(CCN2CCN(C(C)(C)C)CC2)C1
InChIInChI=1S/C19H38N2O/c1-18(2,3)21-11-9-20(10-12-21)8-7-16-13-17(14-16)15-22-19(4,5)6/h16-17H,7-15H2,1-6H3
InChIKeyDXEAXNKYCYVJTN-UHFFFAOYSA-N
XLogP3.63
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.53
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[2-[3-[(2-methylpropan-2-yl)oxymethyl]cyclobutyl]ethyl]piperazine?
The IUPAC name of 1-tert-butyl-4-[2-[3-[(2-methylpropan-2-yl)oxymethyl]cyclobutyl]ethyl]piperazine (CID 135165060) is 1-tert-butyl-4-[2-[3-[(2-methylpropan-2-yl)oxymethyl]cyclobutyl]ethyl]piperazine.
What is the SMILES notation for 1-tert-butyl-4-[2-[3-[(2-methylpropan-2-yl)oxymethyl]cyclobutyl]ethyl]piperazine?
The canonical SMILES for 1-tert-butyl-4-[2-[3-[(2-methylpropan-2-yl)oxymethyl]cyclobutyl]ethyl]piperazine is CC(C)(C)OCC1CC(CCN2CCN(C(C)(C)C)CC2)C1.
What is the InChIKey of 1-tert-butyl-4-[2-[3-[(2-methylpropan-2-yl)oxymethyl]cyclobutyl]ethyl]piperazine?
The InChIKey is DXEAXNKYCYVJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2O/c1-18(2,3)21-11-9-20(10-12-21)8-7-16-13-17(14-16)15-22-19(4,5)6/h16-17H,7-15H2,1-6H3.
What are the key properties of 1-tert-butyl-4-[2-[3-[(2-methylpropan-2-yl)oxymethyl]cyclobutyl]ethyl]piperazine?
1-tert-butyl-4-[2-[3-[(2-methylpropan-2-yl)oxymethyl]cyclobutyl]ethyl]piperazine has a molecular weight of 310.53 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[2-[3-[(2-methylpropan-2-yl)oxymethyl]cyclobutyl]ethyl]piperazine is sourced from PubChem (CID 135165060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).