3,5-dimethyl-1-(oxan-4-ylmethyl)piperazine;hydrochloride

C12H25ClN2O — CID 119923993

IUPAC3,5-dimethyl-1-(oxan-4-ylmethyl)piperazine;hydrochloride
SMILESCC1CN(CC2CCOCC2)CC(C)N1.Cl
InChIInChI=1S/C12H24N2O.ClH/c1-10-7-14(8-11(2)13-10)9-12-3-5-15-6-4-12;/h10-13H,3-9H2,1-2H3;1H
InChIKeyKOLBVFHEDRDTLR-UHFFFAOYSA-N
MW248.80 g/mol
LogP1.52
Rot. Bonds2

About 3,5-dimethyl-1-(oxan-4-ylmethyl)piperazine;hydrochloride

3,5-dimethyl-1-(oxan-4-ylmethyl)piperazine;hydrochloride (PubChem CID 119923993) has the molecular formula C12H25ClN2O and a molecular weight of 248.80 g/mol. Its IUPAC name is 3,5-dimethyl-1-(oxan-4-ylmethyl)piperazine;hydrochloride.

Molecular Properties

Compound Name3,5-dimethyl-1-(oxan-4-ylmethyl)piperazine;hydrochloride
PubChem CID119923993
Molecular FormulaC12H25ClN2O
Molecular Weight248.80 g/mol
Exact Mass248.17
IUPAC Name3,5-dimethyl-1-(oxan-4-ylmethyl)piperazine;hydrochloride
SMILESCC1CN(CC2CCOCC2)CC(C)N1.Cl
InChIInChI=1S/C12H24N2O.ClH/c1-10-7-14(8-11(2)13-10)9-12-3-5-15-6-4-12;/h10-13H,3-9H2,1-2H3;1H
InChIKeyKOLBVFHEDRDTLR-UHFFFAOYSA-N
XLogP1.52
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.80
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-(oxan-4-ylmethyl)piperazine;hydrochloride?
The IUPAC name of 3,5-dimethyl-1-(oxan-4-ylmethyl)piperazine;hydrochloride (CID 119923993) is 3,5-dimethyl-1-(oxan-4-ylmethyl)piperazine;hydrochloride.
What is the SMILES notation for 3,5-dimethyl-1-(oxan-4-ylmethyl)piperazine;hydrochloride?
The canonical SMILES for 3,5-dimethyl-1-(oxan-4-ylmethyl)piperazine;hydrochloride is CC1CN(CC2CCOCC2)CC(C)N1.Cl.
What is the InChIKey of 3,5-dimethyl-1-(oxan-4-ylmethyl)piperazine;hydrochloride?
The InChIKey is KOLBVFHEDRDTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O.ClH/c1-10-7-14(8-11(2)13-10)9-12-3-5-15-6-4-12;/h10-13H,3-9H2,1-2H3;1H.
What are the key properties of 3,5-dimethyl-1-(oxan-4-ylmethyl)piperazine;hydrochloride?
3,5-dimethyl-1-(oxan-4-ylmethyl)piperazine;hydrochloride has a molecular weight of 248.80 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-(oxan-4-ylmethyl)piperazine;hydrochloride is sourced from PubChem (CID 119923993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).