1-[(E)-but-2-enyl]-4-ethoxypiperidine

C11H21NO — CID 142818318

IUPAC1-[(E)-but-2-enyl]-4-ethoxypiperidine
SMILESC/C=C/CN1CCC(OCC)CC1
InChIInChI=1S/C11H21NO/c1-3-5-8-12-9-6-11(7-10-12)13-4-2/h3,5,11H,4,6-10H2,1-2H3/b5-3+
InChIKeyLYIRQOVQZSETGQ-HWKANZROSA-N
MW183.30 g/mol
LogP2.06
Rot. Bonds4

About 1-[(E)-but-2-enyl]-4-ethoxypiperidine

1-[(E)-but-2-enyl]-4-ethoxypiperidine (PubChem CID 142818318) has the molecular formula C11H21NO and a molecular weight of 183.30 g/mol. Its IUPAC name is 1-[(E)-but-2-enyl]-4-ethoxypiperidine.

Molecular Properties

Compound Name1-[(E)-but-2-enyl]-4-ethoxypiperidine
PubChem CID142818318
Molecular FormulaC11H21NO
Molecular Weight183.30 g/mol
Exact Mass183.16
IUPAC Name1-[(E)-but-2-enyl]-4-ethoxypiperidine
SMILESC/C=C/CN1CCC(OCC)CC1
InChIInChI=1S/C11H21NO/c1-3-5-8-12-9-6-11(7-10-12)13-4-2/h3,5,11H,4,6-10H2,1-2H3/b5-3+
InChIKeyLYIRQOVQZSETGQ-HWKANZROSA-N
XLogP2.06
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-but-2-enyl]-4-(difluoromethoxy)piperidine
CID 145347196
4-But-3-enoxy-1-methylpiperidine
CID 18723233
1-Methyl-4-prop-2-enoxypiperidine
CID 59007495
4-[(E)-but-2-enoxy]-1-methylpiperidine
CID 59007600
Methane;1-prop-2-enylpiperidin-4-ol
CID 67493558
4-But-2-en-2-yloxy-1-methylpiperidine
CID 123558534
4-Methoxy-1-prop-2-enylpiperidine
CID 130715390
1-[(E)-but-2-enyl]-3-methoxypiperidine
CID 131232613
1-Cycloprop-2-en-1-yl-4-methoxypiperidine
CID 138612855
Ethane;ethene;4-methoxy-1-methylpiperidine
CID 144216825
Ethane;1-methyl-4-prop-1-en-2-yloxypiperidine
CID 144871605
1-(3-Prop-1-en-2-yloxypropyl)piperidine
CID 155023364

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-2-enyl]-4-ethoxypiperidine?
The IUPAC name of 1-[(E)-but-2-enyl]-4-ethoxypiperidine (CID 142818318) is 1-[(E)-but-2-enyl]-4-ethoxypiperidine.
What is the SMILES notation for 1-[(E)-but-2-enyl]-4-ethoxypiperidine?
The canonical SMILES for 1-[(E)-but-2-enyl]-4-ethoxypiperidine is C/C=C/CN1CCC(OCC)CC1.
What is the InChIKey of 1-[(E)-but-2-enyl]-4-ethoxypiperidine?
The InChIKey is LYIRQOVQZSETGQ-HWKANZROSA-N. The full InChI is InChI=1S/C11H21NO/c1-3-5-8-12-9-6-11(7-10-12)13-4-2/h3,5,11H,4,6-10H2,1-2H3/b5-3+.
What are the key properties of 1-[(E)-but-2-enyl]-4-ethoxypiperidine?
1-[(E)-but-2-enyl]-4-ethoxypiperidine has a molecular weight of 183.30 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-2-enyl]-4-ethoxypiperidine is sourced from PubChem (CID 142818318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).