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

C15H27NO — CID 144575343

IUPACethene;2-[1-[(E)-2-ethenylbut-2-enyl]piperidin-2-yl]ethanol
SMILESC=C.C=C/C(=C\C)CN1CCCCC1CCO
InChIInChI=1S/C13H23NO.C2H4/c1-3-12(4-2)11-14-9-6-5-7-13(14)8-10-15;1-2/h3-4,13,15H,1,5-11H2,2H3;1-2H2/b12-4+;
InChIKeyNQBCLELBKRLMAW-AQCBZIOHSA-N
MW237.39 g/mol
LogP3.16
Rot. Bonds5

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

ethene;2-[1-[(E)-2-ethenylbut-2-enyl]piperidin-2-yl]ethanol (PubChem CID 144575343) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is ethene;2-[1-[(E)-2-ethenylbut-2-enyl]piperidin-2-yl]ethanol.

Molecular Properties

Compound Nameethene;2-[1-[(E)-2-ethenylbut-2-enyl]piperidin-2-yl]ethanol
PubChem CID144575343
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Nameethene;2-[1-[(E)-2-ethenylbut-2-enyl]piperidin-2-yl]ethanol
SMILESC=C.C=C/C(=C\C)CN1CCCCC1CCO
InChIInChI=1S/C13H23NO.C2H4/c1-3-12(4-2)11-14-9-6-5-7-13(14)8-10-15;1-2/h3-4,13,15H,1,5-11H2,2H3;1-2H2/b12-4+;
InChIKeyNQBCLELBKRLMAW-AQCBZIOHSA-N
XLogP3.16
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'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
2-[3,5-dimethyl-1-[(Z)-2-methylidenepent-3-enyl]piperidin-2-yl]ethanol
CID 173535528
2-[1-[(2E,4Z)-4-bromohexa-2,4-dienyl]piperidin-2-yl]ethanol
CID 15358962

Frequently Asked Questions

What is the IUPAC name of ethene;2-[1-[(E)-2-ethenylbut-2-enyl]piperidin-2-yl]ethanol?
The IUPAC name of ethene;2-[1-[(E)-2-ethenylbut-2-enyl]piperidin-2-yl]ethanol (CID 144575343) is ethene;2-[1-[(E)-2-ethenylbut-2-enyl]piperidin-2-yl]ethanol.
What is the SMILES notation for ethene;2-[1-[(E)-2-ethenylbut-2-enyl]piperidin-2-yl]ethanol?
The canonical SMILES for ethene;2-[1-[(E)-2-ethenylbut-2-enyl]piperidin-2-yl]ethanol is C=C.C=C/C(=C\C)CN1CCCCC1CCO.
What is the InChIKey of ethene;2-[1-[(E)-2-ethenylbut-2-enyl]piperidin-2-yl]ethanol?
The InChIKey is NQBCLELBKRLMAW-AQCBZIOHSA-N. The full InChI is InChI=1S/C13H23NO.C2H4/c1-3-12(4-2)11-14-9-6-5-7-13(14)8-10-15;1-2/h3-4,13,15H,1,5-11H2,2H3;1-2H2/b12-4+;.
What are the key properties of ethene;2-[1-[(E)-2-ethenylbut-2-enyl]piperidin-2-yl]ethanol?
ethene;2-[1-[(E)-2-ethenylbut-2-enyl]piperidin-2-yl]ethanol has a molecular weight of 237.39 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;2-[1-[(E)-2-ethenylbut-2-enyl]piperidin-2-yl]ethanol is sourced from PubChem (CID 144575343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).