(2S,3R)-2-ethenyl-1-prop-2-enylpiperidin-3-ol

C10H17NO — CID 46939713

IUPAC(2S,3R)-2-ethenyl-1-prop-2-enylpiperidin-3-ol
SMILESC=CCN1CCC[C@@H](O)[C@@H]1C=C
InChIInChI=1S/C10H17NO/c1-3-7-11-8-5-6-10(12)9(11)4-2/h3-4,9-10,12H,1-2,5-8H2/t9-,10+/m0/s1
InChIKeyXVTXZJLMXIWAIN-VHSXEESVSA-N
MW167.25 g/mol
LogP1.18
Rot. Bonds3

About (2S,3R)-2-ethenyl-1-prop-2-enylpiperidin-3-ol

(2S,3R)-2-ethenyl-1-prop-2-enylpiperidin-3-ol (PubChem CID 46939713) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (2S,3R)-2-ethenyl-1-prop-2-enylpiperidin-3-ol.

Molecular Properties

Compound Name(2S,3R)-2-ethenyl-1-prop-2-enylpiperidin-3-ol
PubChem CID46939713
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(2S,3R)-2-ethenyl-1-prop-2-enylpiperidin-3-ol
SMILESC=CCN1CCC[C@@H](O)[C@@H]1C=C
InChIInChI=1S/C10H17NO/c1-3-7-11-8-5-6-10(12)9(11)4-2/h3-4,9-10,12H,1-2,5-8H2/t9-,10+/m0/s1
InChIKeyXVTXZJLMXIWAIN-VHSXEESVSA-N
XLogP1.18
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.18
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

2-(Piperidin-1-yl)but-3-en-1-ol
CID 226120
1-[(2S,3R)-2-ethenyl-3-hydroxypiperidin-1-yl]ethanone
CID 15415520
1-[Di(propan-2-yl)amino]hex-5-en-2-ol
CID 22975448
1-Allyl-3-hydroxypiperidine
CID 58550019
1-But-3-enylpiperidin-3-ol
CID 64300040
Methane;1-prop-2-enylpiperidin-3-ol
CID 67493066
1-Piperidin-1-ylpent-4-en-2-ol
CID 70538589
(3S)-1-prop-2-enylpiperidin-3-ol
CID 107225869
2-Ethenylpiperidin-3-ol
CID 139998904
2-Ethenyl-1-methylpiperidin-3-ol
CID 139998908
(2S,4R)-2-ethenyl-1-ethylpiperidin-4-ol
CID 146642329
1,2-Bis(prop-2-enyl)piperidin-4-ol
CID 156701736

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-ethenyl-1-prop-2-enylpiperidin-3-ol?
The IUPAC name of (2S,3R)-2-ethenyl-1-prop-2-enylpiperidin-3-ol (CID 46939713) is (2S,3R)-2-ethenyl-1-prop-2-enylpiperidin-3-ol.
What is the SMILES notation for (2S,3R)-2-ethenyl-1-prop-2-enylpiperidin-3-ol?
The canonical SMILES for (2S,3R)-2-ethenyl-1-prop-2-enylpiperidin-3-ol is C=CCN1CCC[C@@H](O)[C@@H]1C=C.
What is the InChIKey of (2S,3R)-2-ethenyl-1-prop-2-enylpiperidin-3-ol?
The InChIKey is XVTXZJLMXIWAIN-VHSXEESVSA-N. The full InChI is InChI=1S/C10H17NO/c1-3-7-11-8-5-6-10(12)9(11)4-2/h3-4,9-10,12H,1-2,5-8H2/t9-,10+/m0/s1.
What are the key properties of (2S,3R)-2-ethenyl-1-prop-2-enylpiperidin-3-ol?
(2S,3R)-2-ethenyl-1-prop-2-enylpiperidin-3-ol has a molecular weight of 167.25 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-ethenyl-1-prop-2-enylpiperidin-3-ol is sourced from PubChem (CID 46939713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).