2-butan-2-yl-5-cyclopropyl-1-(oxolan-3-ylmethyl)piperazine

C16H30N2O — CID 64859732

IUPAC2-butan-2-yl-5-cyclopropyl-1-(oxolan-3-ylmethyl)piperazine
SMILESCCC(C)C1CNC(C2CC2)CN1CC1CCOC1
InChIInChI=1S/C16H30N2O/c1-3-12(2)16-8-17-15(14-4-5-14)10-18(16)9-13-6-7-19-11-13/h12-17H,3-11H2,1-2H3
InChIKeyUFEDGZYRRFPVNJ-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.12
Rot. Bonds5

About 2-butan-2-yl-5-cyclopropyl-1-(oxolan-3-ylmethyl)piperazine

2-butan-2-yl-5-cyclopropyl-1-(oxolan-3-ylmethyl)piperazine (PubChem CID 64859732) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 2-butan-2-yl-5-cyclopropyl-1-(oxolan-3-ylmethyl)piperazine.

Molecular Properties

Compound Name2-butan-2-yl-5-cyclopropyl-1-(oxolan-3-ylmethyl)piperazine
PubChem CID64859732
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name2-butan-2-yl-5-cyclopropyl-1-(oxolan-3-ylmethyl)piperazine
SMILESCCC(C)C1CNC(C2CC2)CN1CC1CCOC1
InChIInChI=1S/C16H30N2O/c1-3-12(2)16-8-17-15(14-4-5-14)10-18(16)9-13-6-7-19-11-13/h12-17H,3-11H2,1-2H3
InChIKeyUFEDGZYRRFPVNJ-UHFFFAOYSA-N
XLogP2.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-cyclopropyl-2-ethyl-1-(oxolan-3-ylmethyl)piperazine
CID 64861065
5-cyclopropyl-2-methyl-1-(oxolan-3-ylmethyl)piperazine
CID 64860286
1-(2-bicyclo[2.2.1]heptanylmethyl)-2-butan-2-yl-5-cyclopropylpiperazine
CID 79559332
2-butan-2-yl-5-(2-methylpropyl)-1-(oxan-4-ylmethyl)piperazine
CID 64848740
2-butan-2-yl-1-(oxan-4-ylmethyl)-5-propylpiperazine
CID 64840141
5-cyclohexyl-1-(oxolan-3-ylmethyl)-2-propylpiperazine
CID 64860188
2-butan-2-yl-5-cyclopropyl-1-(2-propan-2-yloxyethyl)piperazine
CID 64862422
2-butan-2-yl-5-cyclopropyl-1-propan-2-ylpiperazine
CID 64860502
5-cyclopropyl-2-ethyl-1-[2-(oxolan-3-yl)ethyl]piperazine
CID 114129860
2-butan-2-yl-5-cyclopropyl-1-(2-propoxyethyl)piperazine
CID 106458816
2-butan-2-yl-5-cyclopropyl-1-(3-methoxypropyl)piperazine
CID 64862424
5-cyclopropyl-1-[(1-ethylpyrrolidin-3-yl)methyl]-2-propan-2-ylpiperazine
CID 64934748

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-5-cyclopropyl-1-(oxolan-3-ylmethyl)piperazine?
The IUPAC name of 2-butan-2-yl-5-cyclopropyl-1-(oxolan-3-ylmethyl)piperazine (CID 64859732) is 2-butan-2-yl-5-cyclopropyl-1-(oxolan-3-ylmethyl)piperazine.
What is the SMILES notation for 2-butan-2-yl-5-cyclopropyl-1-(oxolan-3-ylmethyl)piperazine?
The canonical SMILES for 2-butan-2-yl-5-cyclopropyl-1-(oxolan-3-ylmethyl)piperazine is CCC(C)C1CNC(C2CC2)CN1CC1CCOC1.
What is the InChIKey of 2-butan-2-yl-5-cyclopropyl-1-(oxolan-3-ylmethyl)piperazine?
The InChIKey is UFEDGZYRRFPVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-3-12(2)16-8-17-15(14-4-5-14)10-18(16)9-13-6-7-19-11-13/h12-17H,3-11H2,1-2H3.
What are the key properties of 2-butan-2-yl-5-cyclopropyl-1-(oxolan-3-ylmethyl)piperazine?
2-butan-2-yl-5-cyclopropyl-1-(oxolan-3-ylmethyl)piperazine has a molecular weight of 266.43 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-5-cyclopropyl-1-(oxolan-3-ylmethyl)piperazine is sourced from PubChem (CID 64859732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).