4-[(E)-2-(oxan-2-yl)ethenyl]piperidine

C12H21NO — CID 126844589

IUPAC4-[(E)-2-(oxan-2-yl)ethenyl]piperidine
SMILESC(=C/C1CCCCO1)\C1CCNCC1
InChIInChI=1S/C12H21NO/c1-2-10-14-12(3-1)5-4-11-6-8-13-9-7-11/h4-5,11-13H,1-3,6-10H2/b5-4+
InChIKeyLHVHHMKOZKIBLG-SNAWJCMRSA-N
MW195.31 g/mol
LogP2.11
Rot. Bonds2

About 4-[(E)-2-(oxan-2-yl)ethenyl]piperidine

4-[(E)-2-(oxan-2-yl)ethenyl]piperidine (PubChem CID 126844589) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 4-[(E)-2-(oxan-2-yl)ethenyl]piperidine.

Molecular Properties

Compound Name4-[(E)-2-(oxan-2-yl)ethenyl]piperidine
PubChem CID126844589
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name4-[(E)-2-(oxan-2-yl)ethenyl]piperidine
SMILESC(=C/C1CCCCO1)\C1CCNCC1
InChIInChI=1S/C12H21NO/c1-2-10-14-12(3-1)5-4-11-6-8-13-9-7-11/h4-5,11-13H,1-3,6-10H2/b5-4+
InChIKeyLHVHHMKOZKIBLG-SNAWJCMRSA-N
XLogP2.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.11
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-[(E)-2-(oxolan-2-yl)ethenyl]pyrrolidine;hydrochloride
CID 126845598
4-(oxan-2-ylmethylidene)piperidine;hydrochloride
CID 126844590
2-buta-1,3-dienyloxane
CID 150390930
2-but-1-enyloxane
CID 54120972
(2R)-oxane-2-carbaldehyde
CID 12648700
(2R)-2-[(E)-2-nitroethenyl]oxane
CID 124677206
2-[(E)-prop-1-enyl]oxolane
CID 12508233
(2R)-2-[(Z)-2-phenylethenyl]oxane
CID 135075421
1,4-oxazepane-7-carbaldehyde
CID 152939152
2-[(E)-3-bromoprop-1-enyl]oxolane
CID 82840033
2-cyclohexylethenylcyclohexane
CID 4124459
(E)-3-[(2R)-oxolan-2-yl]prop-2-enoic acid
CID 124523017

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(oxan-2-yl)ethenyl]piperidine?
The IUPAC name of 4-[(E)-2-(oxan-2-yl)ethenyl]piperidine (CID 126844589) is 4-[(E)-2-(oxan-2-yl)ethenyl]piperidine.
What is the SMILES notation for 4-[(E)-2-(oxan-2-yl)ethenyl]piperidine?
The canonical SMILES for 4-[(E)-2-(oxan-2-yl)ethenyl]piperidine is C(=C/C1CCCCO1)\C1CCNCC1.
What is the InChIKey of 4-[(E)-2-(oxan-2-yl)ethenyl]piperidine?
The InChIKey is LHVHHMKOZKIBLG-SNAWJCMRSA-N. The full InChI is InChI=1S/C12H21NO/c1-2-10-14-12(3-1)5-4-11-6-8-13-9-7-11/h4-5,11-13H,1-3,6-10H2/b5-4+.
What are the key properties of 4-[(E)-2-(oxan-2-yl)ethenyl]piperidine?
4-[(E)-2-(oxan-2-yl)ethenyl]piperidine has a molecular weight of 195.31 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(oxan-2-yl)ethenyl]piperidine is sourced from PubChem (CID 126844589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).