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

C14H28Cl2N2O2 — CID 3030082

IUPAC1,4-bis(oxolan-2-ylmethyl)piperazine;dihydrochloride
SMILESC1COC(CN2CCN(CC3CCCO3)CC2)C1.Cl.Cl
InChIInChI=1S/C14H26N2O2.2ClH/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;2*1H
InChIKeyAPGKJWGRQCLWQI-UHFFFAOYSA-N
MW327.30 g/mol
LogP1.81
Rot. Bonds4

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

1,4-bis(oxolan-2-ylmethyl)piperazine;dihydrochloride (PubChem CID 3030082) has the molecular formula C14H28Cl2N2O2 and a molecular weight of 327.30 g/mol. Its IUPAC name is 1,4-bis(oxolan-2-ylmethyl)piperazine;dihydrochloride.

Molecular Properties

Compound Name1,4-bis(oxolan-2-ylmethyl)piperazine;dihydrochloride
PubChem CID3030082
Molecular FormulaC14H28Cl2N2O2
Molecular Weight327.30 g/mol
Exact Mass326.15
IUPAC Name1,4-bis(oxolan-2-ylmethyl)piperazine;dihydrochloride
SMILESC1COC(CN2CCN(CC3CCCO3)CC2)C1.Cl.Cl
InChIInChI=1S/C14H26N2O2.2ClH/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;2*1H
InChIKeyAPGKJWGRQCLWQI-UHFFFAOYSA-N
XLogP1.81
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.30
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(Oxolan-2-ylmethyl)-4-pyrrolidin-1-ylsulfonylpiperazine
CID 51076120
1-(3-Methoxypropyl)-4-(oxolan-2-ylmethyl)piperazine
CID 53523762
4-Tetrahydrofurfurylmorpholine
CID 12075954
1-Ethyl-4-(oxolan-2-ylmethyl)piperazine
CID 11735766
Xrrhjiqqgpdfne-uhfffaoysa-
CID 12075955
1,4-Bis(oxolan-2-ylmethyl)piperazine;hydrochloride
CID 54602352
1-[[1-(Oxolan-2-ylmethyl)pyrrolidin-2-yl]methyl]piperidine
CID 56824355
[4-(Tetrahydro-furan-2-ylmethyl)-piperazin-1-yl]-acetonitrile
CID 55027705
CID 57540946
CID 57540946
1-(Oxolan-2-ylmethyl)-4-propan-2-ylpiperazine
CID 68032934
1-(2,2-Dimethylpropyl)-4-(oxolan-2-ylmethyl)piperazine
CID 68078223
1-(Oxolan-2-ylmethyl)-4-propylpiperazine
CID 68096170

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(oxolan-2-ylmethyl)piperazine;dihydrochloride?
The IUPAC name of 1,4-bis(oxolan-2-ylmethyl)piperazine;dihydrochloride (CID 3030082) is 1,4-bis(oxolan-2-ylmethyl)piperazine;dihydrochloride.
What is the SMILES notation for 1,4-bis(oxolan-2-ylmethyl)piperazine;dihydrochloride?
The canonical SMILES for 1,4-bis(oxolan-2-ylmethyl)piperazine;dihydrochloride is C1COC(CN2CCN(CC3CCCO3)CC2)C1.Cl.Cl.
What is the InChIKey of 1,4-bis(oxolan-2-ylmethyl)piperazine;dihydrochloride?
The InChIKey is APGKJWGRQCLWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2.2ClH/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;2*1H.
What are the key properties of 1,4-bis(oxolan-2-ylmethyl)piperazine;dihydrochloride?
1,4-bis(oxolan-2-ylmethyl)piperazine;dihydrochloride has a molecular weight of 327.30 g/mol, XLogP of 1.81, 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;dihydrochloride is sourced from PubChem (CID 3030082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).