1-[(3S)-3-methylpiperazin-1-yl]prop-2-en-1-ol

C8H16N2O — CID 170283445

IUPAC1-[(3S)-3-methylpiperazin-1-yl]prop-2-en-1-ol
SMILESC=CC(O)N1CCN[C@@H](C)C1
InChIInChI=1S/C8H16N2O/c1-3-8(11)10-5-4-9-7(2)6-10/h3,7-9,11H,1,4-6H2,2H3/t7-,8?/m0/s1
InChIKeyWSHUXLILSMRRAD-JAMMHHFISA-N
MW156.23 g/mol
LogP-0.22
Rot. Bonds2

About 1-[(3S)-3-methylpiperazin-1-yl]prop-2-en-1-ol

1-[(3S)-3-methylpiperazin-1-yl]prop-2-en-1-ol (PubChem CID 170283445) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 1-[(3S)-3-methylpiperazin-1-yl]prop-2-en-1-ol.

Molecular Properties

Compound Name1-[(3S)-3-methylpiperazin-1-yl]prop-2-en-1-ol
PubChem CID170283445
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name1-[(3S)-3-methylpiperazin-1-yl]prop-2-en-1-ol
SMILESC=CC(O)N1CCN[C@@H](C)C1
InChIInChI=1S/C8H16N2O/c1-3-8(11)10-5-4-9-7(2)6-10/h3,7-9,11H,1,4-6H2,2H3/t7-,8?/m0/s1
InChIKeyWSHUXLILSMRRAD-JAMMHHFISA-N
XLogP-0.22
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[(3S)-3-methylpiperazin-1-yl]prop-2-en-1-ol?
The IUPAC name of 1-[(3S)-3-methylpiperazin-1-yl]prop-2-en-1-ol (CID 170283445) is 1-[(3S)-3-methylpiperazin-1-yl]prop-2-en-1-ol.
What is the SMILES notation for 1-[(3S)-3-methylpiperazin-1-yl]prop-2-en-1-ol?
The canonical SMILES for 1-[(3S)-3-methylpiperazin-1-yl]prop-2-en-1-ol is C=CC(O)N1CCN[C@@H](C)C1.
What is the InChIKey of 1-[(3S)-3-methylpiperazin-1-yl]prop-2-en-1-ol?
The InChIKey is WSHUXLILSMRRAD-JAMMHHFISA-N. The full InChI is InChI=1S/C8H16N2O/c1-3-8(11)10-5-4-9-7(2)6-10/h3,7-9,11H,1,4-6H2,2H3/t7-,8?/m0/s1.
What are the key properties of 1-[(3S)-3-methylpiperazin-1-yl]prop-2-en-1-ol?
1-[(3S)-3-methylpiperazin-1-yl]prop-2-en-1-ol has a molecular weight of 156.23 g/mol, XLogP of -0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-methylpiperazin-1-yl]prop-2-en-1-ol is sourced from PubChem (CID 170283445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).