2-[1-[(E)-2-ethenylbut-2-enyl]piperidin-2-yl]ethanol

C13H23NO — CID 144575344

IUPAC2-[1-[(E)-2-ethenylbut-2-enyl]piperidin-2-yl]ethanol
SMILESC=C/C(=C\C)CN1CCCCC1CCO
InChIInChI=1S/C13H23NO/c1-3-12(4-2)11-14-9-6-5-7-13(14)8-10-15/h3-4,13,15H,1,5-11H2,2H3/b12-4+
InChIKeyNLBGNNZTXDFZRZ-UUILKARUSA-N
MW209.33 g/mol
LogP2.36
Rot. Bonds5

About 2-[1-[(E)-2-ethenylbut-2-enyl]piperidin-2-yl]ethanol

2-[1-[(E)-2-ethenylbut-2-enyl]piperidin-2-yl]ethanol (PubChem CID 144575344) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 2-[1-[(E)-2-ethenylbut-2-enyl]piperidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-[(E)-2-ethenylbut-2-enyl]piperidin-2-yl]ethanol
PubChem CID144575344
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name2-[1-[(E)-2-ethenylbut-2-enyl]piperidin-2-yl]ethanol
SMILESC=C/C(=C\C)CN1CCCCC1CCO
InChIInChI=1S/C13H23NO/c1-3-12(4-2)11-14-9-6-5-7-13(14)8-10-15/h3-4,13,15H,1,5-11H2,2H3/b12-4+
InChIKeyNLBGNNZTXDFZRZ-UUILKARUSA-N
XLogP2.36
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[1-[(2E,4Z)-4-bromo-6-methylhepta-2,4-dienyl]piperidin-2-yl]ethanol
CID 15358964
2-(1-But-3-enylpiperidin-2-yl)ethanol
CID 64297267
1-(Cyclohexa-1,5-dien-1-ylmethyl)-2-ethylpiperidin-4-ol
CID 87674939
2-[3,5-Dimethyl-1-(2-methylidenepent-3-enyl)piperidin-2-yl]ethanol
CID 123183755
2-[1-(2-Methylidenepent-3-enyl)piperidin-2-yl]ethanol
CID 123461604
8-(4-methyl-2H-pyridin-1-yl)octan-1-ol
CID 140226228
[(5E)-1-ethyl-4-methylidene-5-prop-2-enylidenepiperidin-2-yl]methanol
CID 143866514
2-[1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidin-2-yl]ethanol
CID 144430928
ethane;[1-[(Z)-2-methylidenepent-3-enyl]piperidin-2-yl]methanol
CID 144575297
2-[1-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]piperidin-2-yl]ethanol
CID 144575301
ethene;2-[1-[(E)-2-ethenylbut-2-enyl]piperidin-2-yl]ethanol
CID 144575343
2-[3,5-dimethyl-1-[(Z)-2-methylidenepent-3-enyl]piperidin-2-yl]ethanol
CID 173535528

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(E)-2-ethenylbut-2-enyl]piperidin-2-yl]ethanol?
The IUPAC name of 2-[1-[(E)-2-ethenylbut-2-enyl]piperidin-2-yl]ethanol (CID 144575344) is 2-[1-[(E)-2-ethenylbut-2-enyl]piperidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-[(E)-2-ethenylbut-2-enyl]piperidin-2-yl]ethanol?
The canonical SMILES for 2-[1-[(E)-2-ethenylbut-2-enyl]piperidin-2-yl]ethanol is C=C/C(=C\C)CN1CCCCC1CCO.
What is the InChIKey of 2-[1-[(E)-2-ethenylbut-2-enyl]piperidin-2-yl]ethanol?
The InChIKey is NLBGNNZTXDFZRZ-UUILKARUSA-N. The full InChI is InChI=1S/C13H23NO/c1-3-12(4-2)11-14-9-6-5-7-13(14)8-10-15/h3-4,13,15H,1,5-11H2,2H3/b12-4+.
What are the key properties of 2-[1-[(E)-2-ethenylbut-2-enyl]piperidin-2-yl]ethanol?
2-[1-[(E)-2-ethenylbut-2-enyl]piperidin-2-yl]ethanol has a molecular weight of 209.33 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(E)-2-ethenylbut-2-enyl]piperidin-2-yl]ethanol is sourced from PubChem (CID 144575344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).