1-piperazin-1-yl-3-propan-2-yloxypropan-2-ol chloride

C10H22ClN2O2- — CID 53314369

IUPAC1-piperazin-1-yl-3-propan-2-yloxypropan-2-ol chloride
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/p-1
InChIKeyYQEVBRLRUNPKCH-UHFFFAOYSA-M
MW237.75 g/mol
LogP-3.32
Rot. Bonds5

About 1-piperazin-1-yl-3-propan-2-yloxypropan-2-ol chloride

1-piperazin-1-yl-3-propan-2-yloxypropan-2-ol chloride (PubChem CID 53314369) has the molecular formula C10H22ClN2O2- and a molecular weight of 237.75 g/mol. Its IUPAC name is 1-piperazin-1-yl-3-propan-2-yloxypropan-2-ol chloride.

Molecular Properties

Compound Name1-piperazin-1-yl-3-propan-2-yloxypropan-2-ol chloride
PubChem CID53314369
Molecular FormulaC10H22ClN2O2-
Molecular Weight237.75 g/mol
Exact Mass237.14
IUPAC Name1-piperazin-1-yl-3-propan-2-yloxypropan-2-ol chloride
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/p-1
InChIKeyYQEVBRLRUNPKCH-UHFFFAOYSA-M
XLogP-3.32
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.75
LogP ≤ 5-3.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-piperazin-1-yl-3-propan-2-yloxypropan-2-ol chloride?
The IUPAC name of 1-piperazin-1-yl-3-propan-2-yloxypropan-2-ol chloride (CID 53314369) is 1-piperazin-1-yl-3-propan-2-yloxypropan-2-ol chloride.
What is the SMILES notation for 1-piperazin-1-yl-3-propan-2-yloxypropan-2-ol chloride?
The canonical SMILES for 1-piperazin-1-yl-3-propan-2-yloxypropan-2-ol chloride is CC(C)OCC(O)CN1CCNCC1.[Cl-].
What is the InChIKey of 1-piperazin-1-yl-3-propan-2-yloxypropan-2-ol chloride?
The InChIKey is YQEVBRLRUNPKCH-UHFFFAOYSA-M. 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/p-1.
What are the key properties of 1-piperazin-1-yl-3-propan-2-yloxypropan-2-ol chloride?
1-piperazin-1-yl-3-propan-2-yloxypropan-2-ol chloride has a molecular weight of 237.75 g/mol, XLogP of -3.32, 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 chloride is sourced from PubChem (CID 53314369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).