2,5-bis(2-methylpropyl)-1-(oxan-4-ylmethyl)piperazine

C18H36N2O — CID 64848743

IUPAC2,5-bis(2-methylpropyl)-1-(oxan-4-ylmethyl)piperazine
SMILESCC(C)CC1CN(CC2CCOCC2)C(CC(C)C)CN1
InChIInChI=1S/C18H36N2O/c1-14(2)9-17-13-20(12-16-5-7-21-8-6-16)18(11-19-17)10-15(3)4/h14-19H,5-13H2,1-4H3
InChIKeyXAMFTSJTZGHYFL-UHFFFAOYSA-N
MW296.50 g/mol
LogP3.15
Rot. Bonds6

About 2,5-bis(2-methylpropyl)-1-(oxan-4-ylmethyl)piperazine

2,5-bis(2-methylpropyl)-1-(oxan-4-ylmethyl)piperazine (PubChem CID 64848743) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is 2,5-bis(2-methylpropyl)-1-(oxan-4-ylmethyl)piperazine.

Molecular Properties

Compound Name2,5-bis(2-methylpropyl)-1-(oxan-4-ylmethyl)piperazine
PubChem CID64848743
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC Name2,5-bis(2-methylpropyl)-1-(oxan-4-ylmethyl)piperazine
SMILESCC(C)CC1CN(CC2CCOCC2)C(CC(C)C)CN1
InChIInChI=1S/C18H36N2O/c1-14(2)9-17-13-20(12-16-5-7-21-8-6-16)18(11-19-17)10-15(3)4/h14-19H,5-13H2,1-4H3
InChIKeyXAMFTSJTZGHYFL-UHFFFAOYSA-N
XLogP3.15
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-5-(2-methylpropyl)-1-(oxan-4-ylmethyl)piperazine
CID 64848728
2-cyclopropyl-5-(2-methylpropyl)-1-(oxan-4-ylmethyl)piperazine
CID 64850098
2-butan-2-yl-5-(2-methylpropyl)-1-(oxan-4-ylmethyl)piperazine
CID 64848740
2,5-diethyl-1-(oxan-4-ylmethyl)piperazine
CID 64842307
2-ethyl-5-(2-methylpropyl)-1-(oxan-3-ylmethyl)piperazine
CID 64947706
1-(cyclopentylmethyl)-2-(2-methylpropyl)-5-propylpiperazine
CID 64840737
1-(cyclobutylmethyl)-5-(2-methylpropyl)-2-propan-2-ylpiperazine
CID 64934807
1-(oxan-4-ylmethyl)-2-propan-2-yl-5-propylpiperazine
CID 64838582
1-(3,3-dimethylbutyl)-2,5-bis(2-methylpropyl)piperazine
CID 64848550
2-(2-methylpropyl)-1-(oxolan-2-ylmethyl)-5-propylpiperazine
CID 64838798
2-butan-2-yl-1-(oxan-4-ylmethyl)-5-propylpiperazine
CID 64840141
2-[(2S,5S,8S,11S)-7,10-bis(carboxymethyl)-2,5,8,11-tetrakis(2-methylpropyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 153325403

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(2-methylpropyl)-1-(oxan-4-ylmethyl)piperazine?
The IUPAC name of 2,5-bis(2-methylpropyl)-1-(oxan-4-ylmethyl)piperazine (CID 64848743) is 2,5-bis(2-methylpropyl)-1-(oxan-4-ylmethyl)piperazine.
What is the SMILES notation for 2,5-bis(2-methylpropyl)-1-(oxan-4-ylmethyl)piperazine?
The canonical SMILES for 2,5-bis(2-methylpropyl)-1-(oxan-4-ylmethyl)piperazine is CC(C)CC1CN(CC2CCOCC2)C(CC(C)C)CN1.
What is the InChIKey of 2,5-bis(2-methylpropyl)-1-(oxan-4-ylmethyl)piperazine?
The InChIKey is XAMFTSJTZGHYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-14(2)9-17-13-20(12-16-5-7-21-8-6-16)18(11-19-17)10-15(3)4/h14-19H,5-13H2,1-4H3.
What are the key properties of 2,5-bis(2-methylpropyl)-1-(oxan-4-ylmethyl)piperazine?
2,5-bis(2-methylpropyl)-1-(oxan-4-ylmethyl)piperazine has a molecular weight of 296.50 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(2-methylpropyl)-1-(oxan-4-ylmethyl)piperazine is sourced from PubChem (CID 64848743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).