1-piperazin-1-yl-3-propan-2-yloxypropan-2-ol;hydrochloride

C10H23ClN2O2 — CID 11957136

IUPAC1-piperazin-1-yl-3-propan-2-yloxypropan-2-ol;hydrochloride
SMILESCC(C)OCC(O)CN1CCNCC1.Cl
InChIInChI=1S/C10H22N2O2.ClH/c1-9(2)14-8-10(13)7-12-5-3-11-4-6-12;/h9-11,13H,3-8H2,1-2H3;1H
InChIKeyYQEVBRLRUNPKCH-UHFFFAOYSA-N
MW238.76 g/mol
LogP0.10
Rot. Bonds5

About 1-piperazin-1-yl-3-propan-2-yloxypropan-2-ol;hydrochloride

1-piperazin-1-yl-3-propan-2-yloxypropan-2-ol;hydrochloride (PubChem CID 11957136) has the molecular formula C10H23ClN2O2 and a molecular weight of 238.76 g/mol. Its IUPAC name is 1-piperazin-1-yl-3-propan-2-yloxypropan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-piperazin-1-yl-3-propan-2-yloxypropan-2-ol;hydrochloride
PubChem CID11957136
Molecular FormulaC10H23ClN2O2
Molecular Weight238.76 g/mol
Exact Mass238.14
IUPAC Name1-piperazin-1-yl-3-propan-2-yloxypropan-2-ol;hydrochloride
SMILESCC(C)OCC(O)CN1CCNCC1.Cl
InChIInChI=1S/C10H22N2O2.ClH/c1-9(2)14-8-10(13)7-12-5-3-11-4-6-12;/h9-11,13H,3-8H2,1-2H3;1H
InChIKeyYQEVBRLRUNPKCH-UHFFFAOYSA-N
XLogP0.10
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 3020606
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CID 138040310
CID 138040310
CID 145996834
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CID 3163524
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CID 109298
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CID 258861
CID 258861
CID 258867
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CID 258869
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CID 6611037
CID 6611037

Frequently Asked Questions

What is the IUPAC name of 1-piperazin-1-yl-3-propan-2-yloxypropan-2-ol;hydrochloride?
The IUPAC name of 1-piperazin-1-yl-3-propan-2-yloxypropan-2-ol;hydrochloride (CID 11957136) is 1-piperazin-1-yl-3-propan-2-yloxypropan-2-ol;hydrochloride.
What is the SMILES notation for 1-piperazin-1-yl-3-propan-2-yloxypropan-2-ol;hydrochloride?
The canonical SMILES for 1-piperazin-1-yl-3-propan-2-yloxypropan-2-ol;hydrochloride is CC(C)OCC(O)CN1CCNCC1.Cl.
What is the InChIKey of 1-piperazin-1-yl-3-propan-2-yloxypropan-2-ol;hydrochloride?
The InChIKey is YQEVBRLRUNPKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2.ClH/c1-9(2)14-8-10(13)7-12-5-3-11-4-6-12;/h9-11,13H,3-8H2,1-2H3;1H.
What are the key properties of 1-piperazin-1-yl-3-propan-2-yloxypropan-2-ol;hydrochloride?
1-piperazin-1-yl-3-propan-2-yloxypropan-2-ol;hydrochloride has a molecular weight of 238.76 g/mol, XLogP of 0.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperazin-1-yl-3-propan-2-yloxypropan-2-ol;hydrochloride is sourced from PubChem (CID 11957136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).