1-(2-prop-2-enylpiperidin-1-yl)prop-2-en-1-ol

C11H19NO — CID 70599889

IUPAC1-(2-prop-2-enylpiperidin-1-yl)prop-2-en-1-ol
SMILESC=CCC1CCCCN1C(O)C=C
InChIInChI=1S/C11H19NO/c1-3-7-10-8-5-6-9-12(10)11(13)4-2/h3-4,10-11,13H,1-2,5-9H2
InChIKeyDZZXWGIDAUFCRR-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.92
Rot. Bonds4

About 1-(2-prop-2-enylpiperidin-1-yl)prop-2-en-1-ol

1-(2-prop-2-enylpiperidin-1-yl)prop-2-en-1-ol (PubChem CID 70599889) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-(2-prop-2-enylpiperidin-1-yl)prop-2-en-1-ol.

Molecular Properties

Compound Name1-(2-prop-2-enylpiperidin-1-yl)prop-2-en-1-ol
PubChem CID70599889
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name1-(2-prop-2-enylpiperidin-1-yl)prop-2-en-1-ol
SMILESC=CCC1CCCCN1C(O)C=C
InChIInChI=1S/C11H19NO/c1-3-7-10-8-5-6-9-12(10)11(13)4-2/h3-4,10-11,13H,1-2,5-9H2
InChIKeyDZZXWGIDAUFCRR-UHFFFAOYSA-N
XLogP1.92
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.92
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

(1-Butyl-2-ethenylpiperidin-1-ium-1-yl)methanol
CID 57036753
(2-Ethenyl-1-propan-2-ylpiperidin-1-ium-1-yl)methanol
CID 57190674
(1-Dodecyl-2-ethenylpiperidin-1-ium-1-yl)methanol
CID 57200194
(2-Ethenyl-1-heptylpiperidin-1-ium-1-yl)methanol
CID 57220523
3-(2-Prop-2-enylpiperidin-1-yl)prop-1-en-1-ol
CID 70599925
2-(1-Heptyl-6-methylidenepiperidin-2-yl)ethenol
CID 142944216
4-(2-Methylpiperidin-1-yl)but-2-en-1-ol
CID 154150434
1,2-Bis(prop-2-enyl)piperidin-4-ol
CID 156701736
(E)-2-[(2R)-1-methylpiperidin-2-yl]ethenol
CID 163529259
1-[(2S)-2-propylpiperidin-1-yl]prop-2-en-1-ol
CID 166968920
(4S)-2-ethenyl-1,6-dimethylpiperidin-4-ol
CID 173848227
1-(2-Methylpiperidin-1-yl)prop-2-en-1-ol
CID 177243003

Frequently Asked Questions

What is the IUPAC name of 1-(2-prop-2-enylpiperidin-1-yl)prop-2-en-1-ol?
The IUPAC name of 1-(2-prop-2-enylpiperidin-1-yl)prop-2-en-1-ol (CID 70599889) is 1-(2-prop-2-enylpiperidin-1-yl)prop-2-en-1-ol.
What is the SMILES notation for 1-(2-prop-2-enylpiperidin-1-yl)prop-2-en-1-ol?
The canonical SMILES for 1-(2-prop-2-enylpiperidin-1-yl)prop-2-en-1-ol is C=CCC1CCCCN1C(O)C=C.
What is the InChIKey of 1-(2-prop-2-enylpiperidin-1-yl)prop-2-en-1-ol?
The InChIKey is DZZXWGIDAUFCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-3-7-10-8-5-6-9-12(10)11(13)4-2/h3-4,10-11,13H,1-2,5-9H2.
What are the key properties of 1-(2-prop-2-enylpiperidin-1-yl)prop-2-en-1-ol?
1-(2-prop-2-enylpiperidin-1-yl)prop-2-en-1-ol has a molecular weight of 181.28 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-prop-2-enylpiperidin-1-yl)prop-2-en-1-ol is sourced from PubChem (CID 70599889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).