1-(oxolan-2-ylmethyl)piperazine;hydrochloride

C9H19ClN2O — CID 43810427

IUPAC1-(oxolan-2-ylmethyl)piperazine;hydrochloride
SMILESC1COC(CN2CCNCC2)C1.Cl
InChIInChI=1S/C9H18N2O.ClH/c1-2-9(12-7-1)8-11-5-3-10-4-6-11;/h9-10H,1-8H2;1H
InChIKeyHUHKAMZONIHCPR-UHFFFAOYSA-N
MW206.72 g/mol
LogP0.49
Rot. Bonds2

About 1-(oxolan-2-ylmethyl)piperazine;hydrochloride

1-(oxolan-2-ylmethyl)piperazine;hydrochloride (PubChem CID 43810427) has the molecular formula C9H19ClN2O and a molecular weight of 206.72 g/mol. Its IUPAC name is 1-(oxolan-2-ylmethyl)piperazine;hydrochloride.

Molecular Properties

Compound Name1-(oxolan-2-ylmethyl)piperazine;hydrochloride
PubChem CID43810427
Molecular FormulaC9H19ClN2O
Molecular Weight206.72 g/mol
Exact Mass206.12
IUPAC Name1-(oxolan-2-ylmethyl)piperazine;hydrochloride
SMILESC1COC(CN2CCNCC2)C1.Cl
InChIInChI=1S/C9H18N2O.ClH/c1-2-9(12-7-1)8-11-5-3-10-4-6-11;/h9-10H,1-8H2;1H
InChIKeyHUHKAMZONIHCPR-UHFFFAOYSA-N
XLogP0.49
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.72
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-ylmethyl)piperazine;hydrochloride?
The IUPAC name of 1-(oxolan-2-ylmethyl)piperazine;hydrochloride (CID 43810427) is 1-(oxolan-2-ylmethyl)piperazine;hydrochloride.
What is the SMILES notation for 1-(oxolan-2-ylmethyl)piperazine;hydrochloride?
The canonical SMILES for 1-(oxolan-2-ylmethyl)piperazine;hydrochloride is C1COC(CN2CCNCC2)C1.Cl.
What is the InChIKey of 1-(oxolan-2-ylmethyl)piperazine;hydrochloride?
The InChIKey is HUHKAMZONIHCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O.ClH/c1-2-9(12-7-1)8-11-5-3-10-4-6-11;/h9-10H,1-8H2;1H.
What are the key properties of 1-(oxolan-2-ylmethyl)piperazine;hydrochloride?
1-(oxolan-2-ylmethyl)piperazine;hydrochloride has a molecular weight of 206.72 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-ylmethyl)piperazine;hydrochloride is sourced from PubChem (CID 43810427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).