1,4-bis(oxolan-2-ylmethyl)piperazine;hydrochloride

C14H27ClN2O2 — CID 54602352

IUPAC1,4-bis(oxolan-2-ylmethyl)piperazine;hydrochloride
SMILESC1COC(CN2CCN(CC3CCCO3)CC2)C1.Cl
InChIInChI=1S/C14H26N2O2.ClH/c1-3-13(17-9-1)11-15-5-7-16(8-6-15)12-14-4-2-10-18-14;/h13-14H,1-12H2;1H
InChIKeyFVFLBQAPVSSSGF-UHFFFAOYSA-N
MW290.84 g/mol
LogP1.38
Rot. Bonds4

About 1,4-bis(oxolan-2-ylmethyl)piperazine;hydrochloride

1,4-bis(oxolan-2-ylmethyl)piperazine;hydrochloride (PubChem CID 54602352) has the molecular formula C14H27ClN2O2 and a molecular weight of 290.84 g/mol. Its IUPAC name is 1,4-bis(oxolan-2-ylmethyl)piperazine;hydrochloride.

Molecular Properties

Compound Name1,4-bis(oxolan-2-ylmethyl)piperazine;hydrochloride
PubChem CID54602352
Molecular FormulaC14H27ClN2O2
Molecular Weight290.84 g/mol
Exact Mass290.18
IUPAC Name1,4-bis(oxolan-2-ylmethyl)piperazine;hydrochloride
SMILESC1COC(CN2CCN(CC3CCCO3)CC2)C1.Cl
InChIInChI=1S/C14H26N2O2.ClH/c1-3-13(17-9-1)11-15-5-7-16(8-6-15)12-14-4-2-10-18-14;/h13-14H,1-12H2;1H
InChIKeyFVFLBQAPVSSSGF-UHFFFAOYSA-N
XLogP1.38
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.84
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis(oxolan-2-ylmethyl)piperazine;hydrochloride?
The IUPAC name of 1,4-bis(oxolan-2-ylmethyl)piperazine;hydrochloride (CID 54602352) is 1,4-bis(oxolan-2-ylmethyl)piperazine;hydrochloride.
What is the SMILES notation for 1,4-bis(oxolan-2-ylmethyl)piperazine;hydrochloride?
The canonical SMILES for 1,4-bis(oxolan-2-ylmethyl)piperazine;hydrochloride is C1COC(CN2CCN(CC3CCCO3)CC2)C1.Cl.
What is the InChIKey of 1,4-bis(oxolan-2-ylmethyl)piperazine;hydrochloride?
The InChIKey is FVFLBQAPVSSSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2.ClH/c1-3-13(17-9-1)11-15-5-7-16(8-6-15)12-14-4-2-10-18-14;/h13-14H,1-12H2;1H.
What are the key properties of 1,4-bis(oxolan-2-ylmethyl)piperazine;hydrochloride?
1,4-bis(oxolan-2-ylmethyl)piperazine;hydrochloride has a molecular weight of 290.84 g/mol, XLogP of 1.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(oxolan-2-ylmethyl)piperazine;hydrochloride is sourced from PubChem (CID 54602352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).