(Z)-4-(1-methylpiperidin-2-yl)but-2-en-1-ol

C10H19NO — CID 117266027

IUPAC(Z)-4-(1-methylpiperidin-2-yl)but-2-en-1-ol
SMILESCN1CCCCC1C/C=C\CO
InChIInChI=1S/C10H19NO/c1-11-8-4-2-6-10(11)7-3-5-9-12/h3,5,10,12H,2,4,6-9H2,1H3/b5-3-
InChIKeyFMLSUWXIOPVBNW-HYXAFXHYSA-N
MW169.27 g/mol
LogP1.41
Rot. Bonds3

About (Z)-4-(1-methylpiperidin-2-yl)but-2-en-1-ol

(Z)-4-(1-methylpiperidin-2-yl)but-2-en-1-ol (PubChem CID 117266027) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (Z)-4-(1-methylpiperidin-2-yl)but-2-en-1-ol.

Molecular Properties

Compound Name(Z)-4-(1-methylpiperidin-2-yl)but-2-en-1-ol
PubChem CID117266027
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(Z)-4-(1-methylpiperidin-2-yl)but-2-en-1-ol
SMILESCN1CCCCC1C/C=C\CO
InChIInChI=1S/C10H19NO/c1-11-8-4-2-6-10(11)7-3-5-9-12/h3,5,10,12H,2,4,6-9H2,1H3/b5-3-
InChIKeyFMLSUWXIOPVBNW-HYXAFXHYSA-N
XLogP1.41
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 18695481
1-(2-Prop-2-enylpiperidin-1-yl)prop-2-en-1-ol
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6-(Dimethylamino)-3,7-dimethylocta-2,7-dien-1-ol
CID 85557494
3-(1-Methylpiperidin-4-yl)prop-2-en-1-ol
CID 115012078
(2E)-2-(1-chloro-2-methylpiperidin-4-ylidene)ethanol
CID 130387510
(2E)-2-(1,2-dimethylpiperidin-4-ylidene)ethanol
CID 132157774
(2E)-2-(1-methylpiperidin-2-ylidene)ethanol
CID 142275837
(2Z)-2-(1-methylpiperidin-2-ylidene)ethanol
CID 143430698
4-(2-Methylpiperidin-1-yl)but-2-en-1-ol
CID 154150434
(E)-5-piperidin-1-ylpent-3-en-2-ol
CID 155350600
5-(1-Ethylpiperidin-1-ium-2-yl)pent-3-en-2-ol
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10-(Dimethylamino)nonacosa-2,11,20-trien-1-ol
CID 175232861

Frequently Asked Questions

What is the IUPAC name of (Z)-4-(1-methylpiperidin-2-yl)but-2-en-1-ol?
The IUPAC name of (Z)-4-(1-methylpiperidin-2-yl)but-2-en-1-ol (CID 117266027) is (Z)-4-(1-methylpiperidin-2-yl)but-2-en-1-ol.
What is the SMILES notation for (Z)-4-(1-methylpiperidin-2-yl)but-2-en-1-ol?
The canonical SMILES for (Z)-4-(1-methylpiperidin-2-yl)but-2-en-1-ol is CN1CCCCC1C/C=C\CO.
What is the InChIKey of (Z)-4-(1-methylpiperidin-2-yl)but-2-en-1-ol?
The InChIKey is FMLSUWXIOPVBNW-HYXAFXHYSA-N. The full InChI is InChI=1S/C10H19NO/c1-11-8-4-2-6-10(11)7-3-5-9-12/h3,5,10,12H,2,4,6-9H2,1H3/b5-3-.
What are the key properties of (Z)-4-(1-methylpiperidin-2-yl)but-2-en-1-ol?
(Z)-4-(1-methylpiperidin-2-yl)but-2-en-1-ol has a molecular weight of 169.27 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(1-methylpiperidin-2-yl)but-2-en-1-ol is sourced from PubChem (CID 117266027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).