3-[4-(2-hydroxyethyl)-3-methylpiperazin-1-yl]propan-1-ol

C10H22N2O2 — CID 54468500

IUPAC3-[4-(2-hydroxyethyl)-3-methylpiperazin-1-yl]propan-1-ol
SMILESCC1CN(CCCO)CCN1CCO
InChIInChI=1S/C10H22N2O2/c1-10-9-11(3-2-7-13)4-5-12(10)6-8-14/h10,13-14H,2-9H2,1H3
InChIKeyXGQMMFVCBPHBMH-UHFFFAOYSA-N
MW202.30 g/mol
LogP-0.63
Rot. Bonds5

About 3-[4-(2-hydroxyethyl)-3-methylpiperazin-1-yl]propan-1-ol

3-[4-(2-hydroxyethyl)-3-methylpiperazin-1-yl]propan-1-ol (PubChem CID 54468500) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 3-[4-(2-hydroxyethyl)-3-methylpiperazin-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-(2-hydroxyethyl)-3-methylpiperazin-1-yl]propan-1-ol
PubChem CID54468500
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name3-[4-(2-hydroxyethyl)-3-methylpiperazin-1-yl]propan-1-ol
SMILESCC1CN(CCCO)CCN1CCO
InChIInChI=1S/C10H22N2O2/c1-10-9-11(3-2-7-13)4-5-12(10)6-8-14/h10,13-14H,2-9H2,1H3
InChIKeyXGQMMFVCBPHBMH-UHFFFAOYSA-N
XLogP-0.63
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-hydroxyethyl)-3-methylpiperazin-1-yl]propan-1-ol?
The IUPAC name of 3-[4-(2-hydroxyethyl)-3-methylpiperazin-1-yl]propan-1-ol (CID 54468500) is 3-[4-(2-hydroxyethyl)-3-methylpiperazin-1-yl]propan-1-ol.
What is the SMILES notation for 3-[4-(2-hydroxyethyl)-3-methylpiperazin-1-yl]propan-1-ol?
The canonical SMILES for 3-[4-(2-hydroxyethyl)-3-methylpiperazin-1-yl]propan-1-ol is CC1CN(CCCO)CCN1CCO.
What is the InChIKey of 3-[4-(2-hydroxyethyl)-3-methylpiperazin-1-yl]propan-1-ol?
The InChIKey is XGQMMFVCBPHBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-10-9-11(3-2-7-13)4-5-12(10)6-8-14/h10,13-14H,2-9H2,1H3.
What are the key properties of 3-[4-(2-hydroxyethyl)-3-methylpiperazin-1-yl]propan-1-ol?
3-[4-(2-hydroxyethyl)-3-methylpiperazin-1-yl]propan-1-ol has a molecular weight of 202.30 g/mol, XLogP of -0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-hydroxyethyl)-3-methylpiperazin-1-yl]propan-1-ol is sourced from PubChem (CID 54468500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).