(2E)-2-piperidin-3-ylideneethanol

C7H13NO — CID 115011142

IUPAC(2E)-2-piperidin-3-ylideneethanol
SMILESOC/C=C1\CCCNC1
InChIInChI=1S/C7H13NO/c9-5-3-7-2-1-4-8-6-7/h3,8-9H,1-2,4-6H2/b7-3+
InChIKeyLHVJGBMSEGICPO-XVNBXDOJSA-N
MW127.19 g/mol
LogP0.29
Rot. Bonds1

About (2E)-2-piperidin-3-ylideneethanol

(2E)-2-piperidin-3-ylideneethanol (PubChem CID 115011142) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (2E)-2-piperidin-3-ylideneethanol.

Molecular Properties

Compound Name(2E)-2-piperidin-3-ylideneethanol
PubChem CID115011142
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(2E)-2-piperidin-3-ylideneethanol
SMILESOC/C=C1\CCCNC1
InChIInChI=1S/C7H13NO/c9-5-3-7-2-1-4-8-6-7/h3,8-9H,1-2,4-6H2/b7-3+
InChIKeyLHVJGBMSEGICPO-XVNBXDOJSA-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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Frequently Asked Questions

What is the IUPAC name of (2E)-2-piperidin-3-ylideneethanol?
The IUPAC name of (2E)-2-piperidin-3-ylideneethanol (CID 115011142) is (2E)-2-piperidin-3-ylideneethanol.
What is the SMILES notation for (2E)-2-piperidin-3-ylideneethanol?
The canonical SMILES for (2E)-2-piperidin-3-ylideneethanol is OC/C=C1\CCCNC1.
What is the InChIKey of (2E)-2-piperidin-3-ylideneethanol?
The InChIKey is LHVJGBMSEGICPO-XVNBXDOJSA-N. The full InChI is InChI=1S/C7H13NO/c9-5-3-7-2-1-4-8-6-7/h3,8-9H,1-2,4-6H2/b7-3+.
What are the key properties of (2E)-2-piperidin-3-ylideneethanol?
(2E)-2-piperidin-3-ylideneethanol 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 (2E)-2-piperidin-3-ylideneethanol is sourced from PubChem (CID 115011142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).