2-ethenylpiperidin-3-ol

C7H13NO — CID 139998904

IUPAC2-ethenylpiperidin-3-ol
SMILESC=CC1NCCCC1O
InChIInChI=1S/C7H13NO/c1-2-6-7(9)4-3-5-8-6/h2,6-9H,1,3-5H2
InChIKeyZRDGNJKUDHTJSY-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.29
Rot. Bonds1

About 2-ethenylpiperidin-3-ol

2-ethenylpiperidin-3-ol (PubChem CID 139998904) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 2-ethenylpiperidin-3-ol.

Molecular Properties

Compound Name2-ethenylpiperidin-3-ol
PubChem CID139998904
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name2-ethenylpiperidin-3-ol
SMILESC=CC1NCCCC1O
InChIInChI=1S/C7H13NO/c1-2-6-7(9)4-3-5-8-6/h2,6-9H,1,3-5H2
InChIKeyZRDGNJKUDHTJSY-UHFFFAOYSA-N
XLogP0.29
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.29
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,4S,5R)-2-ethenylpiperidine-3,4,5-triol;hydrochloride
CID 57341106
(3R,4S)-4-(prop-2-enylamino)hept-6-en-3-ol
CID 134835169
(2R,3S,4S,5R)-2-ethenylpiperidine-3,4,5-triol
CID 57341107
(2R,4S,6R)-2-ethenyl-6-methylpiperidin-4-ol
CID 25231927
(2S,4S,6R)-2-ethenyl-6-methylpiperidin-4-ol
CID 55286118
(3S,4S)-4-(prop-2-enylamino)hept-6-en-3-ol
CID 134835287
(2S,3S,4R,5R)-5-azido-2-ethenylpiperidine-3,4-diol
CID 134851829
2-[(E)-2-iodoethenyl]piperidin-4-ol
CID 134858508
5-Methylidenepiperidin-3-ol
CID 53700633
(2R,3S)-2-prop-2-enylpiperidin-3-ol
CID 55287222
6-Prop-2-enylpiperidin-3-ol
CID 67413271
1-Piperidin-2-ylbut-3-en-1-ol
CID 70541220

Frequently Asked Questions

What is the IUPAC name of 2-ethenylpiperidin-3-ol?
The IUPAC name of 2-ethenylpiperidin-3-ol (CID 139998904) is 2-ethenylpiperidin-3-ol.
What is the SMILES notation for 2-ethenylpiperidin-3-ol?
The canonical SMILES for 2-ethenylpiperidin-3-ol is C=CC1NCCCC1O.
What is the InChIKey of 2-ethenylpiperidin-3-ol?
The InChIKey is ZRDGNJKUDHTJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-2-6-7(9)4-3-5-8-6/h2,6-9H,1,3-5H2.
What are the key properties of 2-ethenylpiperidin-3-ol?
2-ethenylpiperidin-3-ol has a molecular weight of 127.19 g/mol, XLogP of 0.29, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenylpiperidin-3-ol is sourced from PubChem (CID 139998904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).