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

C16H31ClN2O2 — CID 54599864

IUPAC1,4-bis(oxan-2-ylmethyl)piperazine;hydrochloride
SMILESC1CCC(CN2CCN(CC3CCCCO3)CC2)OC1.Cl
InChIInChI=1S/C16H30N2O2.ClH/c1-3-11-19-15(5-1)13-17-7-9-18(10-8-17)14-16-6-2-4-12-20-16;/h15-16H,1-14H2;1H
InChIKeyDQKZKPPADKVMSX-UHFFFAOYSA-N
MW318.89 g/mol
LogP2.16
Rot. Bonds4

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

1,4-bis(oxan-2-ylmethyl)piperazine;hydrochloride (PubChem CID 54599864) has the molecular formula C16H31ClN2O2 and a molecular weight of 318.89 g/mol. Its IUPAC name is 1,4-bis(oxan-2-ylmethyl)piperazine;hydrochloride.

Molecular Properties

Compound Name1,4-bis(oxan-2-ylmethyl)piperazine;hydrochloride
PubChem CID54599864
Molecular FormulaC16H31ClN2O2
Molecular Weight318.89 g/mol
Exact Mass318.21
IUPAC Name1,4-bis(oxan-2-ylmethyl)piperazine;hydrochloride
SMILESC1CCC(CN2CCN(CC3CCCCO3)CC2)OC1.Cl
InChIInChI=1S/C16H30N2O2.ClH/c1-3-11-19-15(5-1)13-17-7-9-18(10-8-17)14-16-6-2-4-12-20-16;/h15-16H,1-14H2;1H
InChIKeyDQKZKPPADKVMSX-UHFFFAOYSA-N
XLogP2.16
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.89
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-Methoxyethyl)-4-(oxan-2-ylmethyl)piperazine
CID 53530223
1,4-Bis(tetrahydro-2H-pyran-2-ylmethyl)piperazine dihydrochloride
CID 16206893
1-isopropyl-4-((tetrahydro-2H-pyran-2-yl)methyl)piperazine
CID 53528212
4-(Oxan-2-ylmethyl)morpholine
CID 91344932
1-methyl-4-((tetrahydro-2H-pyran-2-yl)methyl)piperazine
CID 124200346
1-Iodo-4-(oxan-2-ylmethyl)piperazine
CID 135253096
1-Butan-2-yl-4-(oxan-2-ylmethyl)piperazine
CID 142404128
N-ethyl-N-[[(2R)-oxan-2-yl]methyl]ethanamine;N-ethyl-N-[[(2S)-oxan-2-yl]methyl]ethanamine
CID 159188396
1,4-Bis(oxan-2-ylmethyl)piperazine
CID 411043
1-ethyl-4-[1-[2-[[(2S)-oxan-2-yl]methoxy]ethyl]piperidin-4-yl]piperazine
CID 28954494
1-ethyl-4-[1-[2-[[(2R)-oxan-2-yl]methoxy]ethyl]piperidin-4-yl]piperazine
CID 28954496
1-ethyl-4-{1-[2-(tetrahydro-2H-pyran-2-ylmethoxy)ethyl]-4-piperidinyl}piperazine
CID 45929680

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(oxan-2-ylmethyl)piperazine;hydrochloride?
The IUPAC name of 1,4-bis(oxan-2-ylmethyl)piperazine;hydrochloride (CID 54599864) is 1,4-bis(oxan-2-ylmethyl)piperazine;hydrochloride.
What is the SMILES notation for 1,4-bis(oxan-2-ylmethyl)piperazine;hydrochloride?
The canonical SMILES for 1,4-bis(oxan-2-ylmethyl)piperazine;hydrochloride is C1CCC(CN2CCN(CC3CCCCO3)CC2)OC1.Cl.
What is the InChIKey of 1,4-bis(oxan-2-ylmethyl)piperazine;hydrochloride?
The InChIKey is DQKZKPPADKVMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2.ClH/c1-3-11-19-15(5-1)13-17-7-9-18(10-8-17)14-16-6-2-4-12-20-16;/h15-16H,1-14H2;1H.
What are the key properties of 1,4-bis(oxan-2-ylmethyl)piperazine;hydrochloride?
1,4-bis(oxan-2-ylmethyl)piperazine;hydrochloride has a molecular weight of 318.89 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(oxan-2-ylmethyl)piperazine;hydrochloride is sourced from PubChem (CID 54599864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).