4-methylidene-2-prop-2-enylpiperidin-3-ol

C9H15NO — CID 163929424

IUPAC4-methylidene-2-prop-2-enylpiperidin-3-ol
SMILESC=CCC1NCCC(=C)C1O
InChIInChI=1S/C9H15NO/c1-3-4-8-9(11)7(2)5-6-10-8/h3,8-11H,1-2,4-6H2
InChIKeyRHLFKUNMXAOPRA-UHFFFAOYSA-N
MW153.23 g/mol
LogP0.84
Rot. Bonds2

About 4-methylidene-2-prop-2-enylpiperidin-3-ol

4-methylidene-2-prop-2-enylpiperidin-3-ol (PubChem CID 163929424) has the molecular formula C9H15NO and a molecular weight of 153.23 g/mol. Its IUPAC name is 4-methylidene-2-prop-2-enylpiperidin-3-ol.

Molecular Properties

Compound Name4-methylidene-2-prop-2-enylpiperidin-3-ol
PubChem CID163929424
Molecular FormulaC9H15NO
Molecular Weight153.23 g/mol
Exact Mass153.12
IUPAC Name4-methylidene-2-prop-2-enylpiperidin-3-ol
SMILESC=CCC1NCCC(=C)C1O
InChIInChI=1S/C9H15NO/c1-3-4-8-9(11)7(2)5-6-10-8/h3,8-11H,1-2,4-6H2
InChIKeyRHLFKUNMXAOPRA-UHFFFAOYSA-N
XLogP0.84
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R,3S)-2-prop-2-enylpiperidin-3-ol
CID 55287222
6-Prop-2-enylpiperidin-3-ol
CID 67413271
(3S)-4-methylidenepiperidin-3-ol
CID 67957994
4-Methylidenepiperidin-3-ol
CID 70262257
2-Prop-2-enylpiperidin-3-ol
CID 76224088
4-(Dimethylaminomethylidene)-2-methylpiperidin-3-ol
CID 90902595
1-Piperidin-2-ylprop-2-en-1-ol
CID 106634606
(3S,6S)-6-ethenylpiperidin-3-ol
CID 126725620
2-Ethenylpiperidin-3-ol
CID 139998904
(2S,3R)-2-prop-2-enylpiperidin-3-ol
CID 141512712
Methane;4-methylidenepiperidin-3-ol
CID 143089265
2-[(3Z)-2-methylidenehexa-3,5-dienyl]piperidin-3-ol
CID 156749674

Frequently Asked Questions

What is the IUPAC name of 4-methylidene-2-prop-2-enylpiperidin-3-ol?
The IUPAC name of 4-methylidene-2-prop-2-enylpiperidin-3-ol (CID 163929424) is 4-methylidene-2-prop-2-enylpiperidin-3-ol.
What is the SMILES notation for 4-methylidene-2-prop-2-enylpiperidin-3-ol?
The canonical SMILES for 4-methylidene-2-prop-2-enylpiperidin-3-ol is C=CCC1NCCC(=C)C1O.
What is the InChIKey of 4-methylidene-2-prop-2-enylpiperidin-3-ol?
The InChIKey is RHLFKUNMXAOPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-3-4-8-9(11)7(2)5-6-10-8/h3,8-11H,1-2,4-6H2.
What are the key properties of 4-methylidene-2-prop-2-enylpiperidin-3-ol?
4-methylidene-2-prop-2-enylpiperidin-3-ol has a molecular weight of 153.23 g/mol, XLogP of 0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidene-2-prop-2-enylpiperidin-3-ol is sourced from PubChem (CID 163929424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).