1-(4-benzylpiperazin-1-yl)-3-propan-2-yloxypropan-2-ol;dihydrochloride

C17H30Cl2N2O2 — CID 2938408

IUPAC1-(4-benzylpiperazin-1-yl)-3-propan-2-yloxypropan-2-ol;dihydrochloride
SMILESCC(C)OCC(O)CN1CCN(Cc2ccccc2)CC1.Cl.Cl
InChIInChI=1S/C17H28N2O2.2ClH/c1-15(2)21-14-17(20)13-19-10-8-18(9-11-19)12-16-6-4-3-5-7-16;;/h3-7,15,17,20H,8-14H2,1-2H3;2*1H
InChIKeyIGYZAIGQPPEMRW-UHFFFAOYSA-N
MW365.35 g/mol
LogP2.43
Rot. Bonds7

About 1-(4-benzylpiperazin-1-yl)-3-propan-2-yloxypropan-2-ol;dihydrochloride

1-(4-benzylpiperazin-1-yl)-3-propan-2-yloxypropan-2-ol;dihydrochloride (PubChem CID 2938408) has the molecular formula C17H30Cl2N2O2 and a molecular weight of 365.35 g/mol. Its IUPAC name is 1-(4-benzylpiperazin-1-yl)-3-propan-2-yloxypropan-2-ol;dihydrochloride.

Molecular Properties

Compound Name1-(4-benzylpiperazin-1-yl)-3-propan-2-yloxypropan-2-ol;dihydrochloride
PubChem CID2938408
Molecular FormulaC17H30Cl2N2O2
Molecular Weight365.35 g/mol
Exact Mass364.17
IUPAC Name1-(4-benzylpiperazin-1-yl)-3-propan-2-yloxypropan-2-ol;dihydrochloride
SMILESCC(C)OCC(O)CN1CCN(Cc2ccccc2)CC1.Cl.Cl
InChIInChI=1S/C17H28N2O2.2ClH/c1-15(2)21-14-17(20)13-19-10-8-18(9-11-19)12-16-6-4-3-5-7-16;;/h3-7,15,17,20H,8-14H2,1-2H3;2*1H
InChIKeyIGYZAIGQPPEMRW-UHFFFAOYSA-N
XLogP2.43
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.35
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Decloxizine
CID 71135
1-(4-Benzylpiperidin-1-yl)-3-propan-2-yloxypropan-2-ol;hydrochloride
CID 16807157
Hydroxydiethylphenamine
CID 83104
1-[Benzyl(2-hydroxyethyl)amino]-3-[(2-ethylhexyl)oxy]propan-2-ol
CID 70331967
1-(Dibenzylamino)-3-[(2-ethylhexyl)oxy]propan-2-ol
CID 155765665
1-(4-Benzylpiperazin-1-yl)-3-(4-tert-butylcyclohexyl)oxypropan-2-ol;hydrochloride
CID 12006242
Benzenemethanaminium, N-dodecyl-N,N-bis(2-hydroxypropyl)-, chloride (1:1)
CID 103099
Benzenemethanaminium, N,N-bis(2-hydroxypropyl)-N-octadecyl-, chloride (1:1)
CID 103101
Benzenemethanaminium, N-hexadecyl-N,N-bis(2-hydroxypropyl)-, chloride (1:1)
CID 103275
Benzenemethanaminium, N,N-bis(2-hydroxypropyl)-N-tetradecyl-, chloride (1:1)
CID 3034700
CID 11958898
CID 11958898
1-(4-Benzyl-1-piperazinyl)-3-[(3,3,5-trimethylcyclohexyl)oxy]-2-propanol dihydrochloride
CID 11958907

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperazin-1-yl)-3-propan-2-yloxypropan-2-ol;dihydrochloride?
The IUPAC name of 1-(4-benzylpiperazin-1-yl)-3-propan-2-yloxypropan-2-ol;dihydrochloride (CID 2938408) is 1-(4-benzylpiperazin-1-yl)-3-propan-2-yloxypropan-2-ol;dihydrochloride.
What is the SMILES notation for 1-(4-benzylpiperazin-1-yl)-3-propan-2-yloxypropan-2-ol;dihydrochloride?
The canonical SMILES for 1-(4-benzylpiperazin-1-yl)-3-propan-2-yloxypropan-2-ol;dihydrochloride is CC(C)OCC(O)CN1CCN(Cc2ccccc2)CC1.Cl.Cl.
What is the InChIKey of 1-(4-benzylpiperazin-1-yl)-3-propan-2-yloxypropan-2-ol;dihydrochloride?
The InChIKey is IGYZAIGQPPEMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2.2ClH/c1-15(2)21-14-17(20)13-19-10-8-18(9-11-19)12-16-6-4-3-5-7-16;;/h3-7,15,17,20H,8-14H2,1-2H3;2*1H.
What are the key properties of 1-(4-benzylpiperazin-1-yl)-3-propan-2-yloxypropan-2-ol;dihydrochloride?
1-(4-benzylpiperazin-1-yl)-3-propan-2-yloxypropan-2-ol;dihydrochloride has a molecular weight of 365.35 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperazin-1-yl)-3-propan-2-yloxypropan-2-ol;dihydrochloride is sourced from PubChem (CID 2938408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).