(4-prop-2-enylpiperazin-2-yl)methanol

C8H16N2O — CID 83694719

IUPAC(4-prop-2-enylpiperazin-2-yl)methanol
SMILESC=CCN1CCNC(CO)C1
InChIInChI=1S/C8H16N2O/c1-2-4-10-5-3-9-8(6-10)7-11/h2,8-9,11H,1,3-7H2
InChIKeyIIZNHKRMYHCHSC-UHFFFAOYSA-N
MW156.23 g/mol
LogP-0.56
Rot. Bonds3

About (4-prop-2-enylpiperazin-2-yl)methanol

(4-prop-2-enylpiperazin-2-yl)methanol (PubChem CID 83694719) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is (4-prop-2-enylpiperazin-2-yl)methanol.

Molecular Properties

Compound Name(4-prop-2-enylpiperazin-2-yl)methanol
PubChem CID83694719
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name(4-prop-2-enylpiperazin-2-yl)methanol
SMILESC=CCN1CCNC(CO)C1
InChIInChI=1S/C8H16N2O/c1-2-4-10-5-3-9-8(6-10)7-11/h2,8-9,11H,1,3-7H2
InChIKeyIIZNHKRMYHCHSC-UHFFFAOYSA-N
XLogP-0.56
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-({2-[(Prop-2-en-1-yl)amino]ethyl}amino)propan-1-ol
CID 16076764
1-Prop-2-enylpiperazin-2-ol
CID 67023773
3-[2-(Hydroxymethyl)piperazin-1-yl]prop-1-en-2-ol
CID 67260912
1-[1-(1-Hydroxyprop-2-enyl)piperazin-2-yl]prop-2-en-1-ol
CID 67655661
4-Piperazin-1-ylhexa-1,5-dien-3-ol
CID 69629314
1-(1-Prop-2-enylpiperazin-2-yl)prop-2-en-1-ol
CID 70457067
(4-Prop-1-enylpiperazin-2-yl)methanol
CID 91002568
(1-Buta-2,3-dien-2-ylpiperazin-2-yl)methanol
CID 91463027
(4-Buta-1,3-dien-2-ylpiperazin-2-yl)methanol
CID 123844544
2-[(1-Prop-2-enylpiperidin-4-yl)amino]ethanol
CID 142143543
1-[(3S)-3-methylpiperazin-1-yl]prop-2-en-1-ol
CID 170283445
2-(2-Hydroxyethylamino)ethanol;1-prop-2-enylpiperazine
CID 174949744

Frequently Asked Questions

What is the IUPAC name of (4-prop-2-enylpiperazin-2-yl)methanol?
The IUPAC name of (4-prop-2-enylpiperazin-2-yl)methanol (CID 83694719) is (4-prop-2-enylpiperazin-2-yl)methanol.
What is the SMILES notation for (4-prop-2-enylpiperazin-2-yl)methanol?
The canonical SMILES for (4-prop-2-enylpiperazin-2-yl)methanol is C=CCN1CCNC(CO)C1.
What is the InChIKey of (4-prop-2-enylpiperazin-2-yl)methanol?
The InChIKey is IIZNHKRMYHCHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-2-4-10-5-3-9-8(6-10)7-11/h2,8-9,11H,1,3-7H2.
What are the key properties of (4-prop-2-enylpiperazin-2-yl)methanol?
(4-prop-2-enylpiperazin-2-yl)methanol has a molecular weight of 156.23 g/mol, XLogP of -0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-prop-2-enylpiperazin-2-yl)methanol is sourced from PubChem (CID 83694719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).