1-[1-(1-hydroxyprop-2-enyl)piperazin-2-yl]prop-2-en-1-ol

C10H18N2O2 — CID 67655661

IUPAC1-[1-(1-hydroxyprop-2-enyl)piperazin-2-yl]prop-2-en-1-ol
SMILESC=CC(O)C1CNCCN1C(O)C=C
InChIInChI=1S/C10H18N2O2/c1-3-9(13)8-7-11-5-6-12(8)10(14)4-2/h3-4,8-11,13-14H,1-2,5-7H2
InChIKeySKQCEOADEJHNPF-UHFFFAOYSA-N
MW198.27 g/mol
LogP-0.69
Rot. Bonds4

About 1-[1-(1-hydroxyprop-2-enyl)piperazin-2-yl]prop-2-en-1-ol

1-[1-(1-hydroxyprop-2-enyl)piperazin-2-yl]prop-2-en-1-ol (PubChem CID 67655661) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 1-[1-(1-hydroxyprop-2-enyl)piperazin-2-yl]prop-2-en-1-ol.

Molecular Properties

Compound Name1-[1-(1-hydroxyprop-2-enyl)piperazin-2-yl]prop-2-en-1-ol
PubChem CID67655661
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name1-[1-(1-hydroxyprop-2-enyl)piperazin-2-yl]prop-2-en-1-ol
SMILESC=CC(O)C1CNCCN1C(O)C=C
InChIInChI=1S/C10H18N2O2/c1-3-9(13)8-7-11-5-6-12(8)10(14)4-2/h3-4,8-11,13-14H,1-2,5-7H2
InChIKeySKQCEOADEJHNPF-UHFFFAOYSA-N
XLogP-0.69
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-hydroxyprop-2-enyl)piperazin-2-yl]prop-2-en-1-ol?
The IUPAC name of 1-[1-(1-hydroxyprop-2-enyl)piperazin-2-yl]prop-2-en-1-ol (CID 67655661) is 1-[1-(1-hydroxyprop-2-enyl)piperazin-2-yl]prop-2-en-1-ol.
What is the SMILES notation for 1-[1-(1-hydroxyprop-2-enyl)piperazin-2-yl]prop-2-en-1-ol?
The canonical SMILES for 1-[1-(1-hydroxyprop-2-enyl)piperazin-2-yl]prop-2-en-1-ol is C=CC(O)C1CNCCN1C(O)C=C.
What is the InChIKey of 1-[1-(1-hydroxyprop-2-enyl)piperazin-2-yl]prop-2-en-1-ol?
The InChIKey is SKQCEOADEJHNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-3-9(13)8-7-11-5-6-12(8)10(14)4-2/h3-4,8-11,13-14H,1-2,5-7H2.
What are the key properties of 1-[1-(1-hydroxyprop-2-enyl)piperazin-2-yl]prop-2-en-1-ol?
1-[1-(1-hydroxyprop-2-enyl)piperazin-2-yl]prop-2-en-1-ol has a molecular weight of 198.27 g/mol, XLogP of -0.69, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-hydroxyprop-2-enyl)piperazin-2-yl]prop-2-en-1-ol is sourced from PubChem (CID 67655661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).