1-[(E)-but-2-enyl]-3-methoxypiperidine

C10H19NO — CID 131232613

IUPAC1-[(E)-but-2-enyl]-3-methoxypiperidine
SMILESC/C=C/CN1CCCC(OC)C1
InChIInChI=1S/C10H19NO/c1-3-4-7-11-8-5-6-10(9-11)12-2/h3-4,10H,5-9H2,1-2H3/b4-3+
InChIKeyGMZWMNPGOPNOCR-ONEGZZNKSA-N
MW169.27 g/mol
LogP1.67
Rot. Bonds3

About 1-[(E)-but-2-enyl]-3-methoxypiperidine

1-[(E)-but-2-enyl]-3-methoxypiperidine (PubChem CID 131232613) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 1-[(E)-but-2-enyl]-3-methoxypiperidine.

Molecular Properties

Compound Name1-[(E)-but-2-enyl]-3-methoxypiperidine
PubChem CID131232613
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name1-[(E)-but-2-enyl]-3-methoxypiperidine
SMILESC/C=C/CN1CCCC(OC)C1
InChIInChI=1S/C10H19NO/c1-3-4-7-11-8-5-6-10(9-11)12-2/h3-4,10H,5-9H2,1-2H3/b4-3+
InChIKeyGMZWMNPGOPNOCR-ONEGZZNKSA-N
XLogP1.67
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.67
H-Bond Donors ≤ 50
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 1-[(E)-but-2-enyl]-3-methoxypiperidine?
The IUPAC name of 1-[(E)-but-2-enyl]-3-methoxypiperidine (CID 131232613) is 1-[(E)-but-2-enyl]-3-methoxypiperidine.
What is the SMILES notation for 1-[(E)-but-2-enyl]-3-methoxypiperidine?
The canonical SMILES for 1-[(E)-but-2-enyl]-3-methoxypiperidine is C/C=C/CN1CCCC(OC)C1.
What is the InChIKey of 1-[(E)-but-2-enyl]-3-methoxypiperidine?
The InChIKey is GMZWMNPGOPNOCR-ONEGZZNKSA-N. The full InChI is InChI=1S/C10H19NO/c1-3-4-7-11-8-5-6-10(9-11)12-2/h3-4,10H,5-9H2,1-2H3/b4-3+.
What are the key properties of 1-[(E)-but-2-enyl]-3-methoxypiperidine?
1-[(E)-but-2-enyl]-3-methoxypiperidine has a molecular weight of 169.27 g/mol, XLogP of 1.67, 3 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]-3-methoxypiperidine is sourced from PubChem (CID 131232613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).