3-(2-methylpropyl)-1-(oxan-2-ylmethyl)piperazine

C14H28N2O — CID 64834625

IUPAC3-(2-methylpropyl)-1-(oxan-2-ylmethyl)piperazine
SMILESCC(C)CC1CN(CC2CCCCO2)CCN1
InChIInChI=1S/C14H28N2O/c1-12(2)9-13-10-16(7-6-15-13)11-14-5-3-4-8-17-14/h12-15H,3-11H2,1-2H3
InChIKeyDHBBTXDCUBRKQL-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.88
Rot. Bonds4

About 3-(2-methylpropyl)-1-(oxan-2-ylmethyl)piperazine

3-(2-methylpropyl)-1-(oxan-2-ylmethyl)piperazine (PubChem CID 64834625) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 3-(2-methylpropyl)-1-(oxan-2-ylmethyl)piperazine.

Molecular Properties

Compound Name3-(2-methylpropyl)-1-(oxan-2-ylmethyl)piperazine
PubChem CID64834625
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name3-(2-methylpropyl)-1-(oxan-2-ylmethyl)piperazine
SMILESCC(C)CC1CN(CC2CCCCO2)CCN1
InChIInChI=1S/C14H28N2O/c1-12(2)9-13-10-16(7-6-15-13)11-14-5-3-4-8-17-14/h12-15H,3-11H2,1-2H3
InChIKeyDHBBTXDCUBRKQL-UHFFFAOYSA-N
XLogP1.88
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methylpropyl)-1-(oxan-3-ylmethyl)-1,4-diazepane
CID 64950927
1-(oxan-2-ylmethyl)piperazine
CID 14981447
3-methyl-1-(oxolan-2-ylmethyl)-1,4-diazepane
CID 64858824
3-(2-methylpropyl)-1-(oxolan-2-ylmethyl)-1,4-diazaspiro[5.5]undecane
CID 64849737
(2R)-2-(2-methylpropyl)oxane
CID 58653197
3-cyclopropyl-1-(oxan-2-ylmethyl)-1,4-diazepane
CID 64871322
2-[3-(2-methylpropyl)piperazin-1-yl]ethanol
CID 112546379
1-(2-fluoroethyl)-3-(2-methylpropyl)piperazine
CID 80695147
3-cyclohexyl-1-(oxan-2-ylmethyl)-1,4-diazepane
CID 64871313
(2S)-1-[(2R)-2-methyl-4-[[(2S)-oxan-2-yl]methyl]piperazin-1-yl]propan-2-ol
CID 124780455
1-cyclohexyl-3-(2-methylpropyl)piperazine
CID 64924419
1-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-(2-methylpropyl)piperazine
CID 104772013

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-1-(oxan-2-ylmethyl)piperazine?
The IUPAC name of 3-(2-methylpropyl)-1-(oxan-2-ylmethyl)piperazine (CID 64834625) is 3-(2-methylpropyl)-1-(oxan-2-ylmethyl)piperazine.
What is the SMILES notation for 3-(2-methylpropyl)-1-(oxan-2-ylmethyl)piperazine?
The canonical SMILES for 3-(2-methylpropyl)-1-(oxan-2-ylmethyl)piperazine is CC(C)CC1CN(CC2CCCCO2)CCN1.
What is the InChIKey of 3-(2-methylpropyl)-1-(oxan-2-ylmethyl)piperazine?
The InChIKey is DHBBTXDCUBRKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-12(2)9-13-10-16(7-6-15-13)11-14-5-3-4-8-17-14/h12-15H,3-11H2,1-2H3.
What are the key properties of 3-(2-methylpropyl)-1-(oxan-2-ylmethyl)piperazine?
3-(2-methylpropyl)-1-(oxan-2-ylmethyl)piperazine has a molecular weight of 240.39 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-1-(oxan-2-ylmethyl)piperazine is sourced from PubChem (CID 64834625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).