1-(cyclopropylmethyl)-4-(1-ethoxyethenyl)piperidine

C13H23NO — CID 129209109

IUPAC1-(cyclopropylmethyl)-4-(1-ethoxyethenyl)piperidine
SMILESC=C(OCC)C1CCN(CC2CC2)CC1
InChIInChI=1S/C13H23NO/c1-3-15-11(2)13-6-8-14(9-7-13)10-12-4-5-12/h12-13H,2-10H2,1H3
InChIKeyCAMJNHCAHQVRKZ-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.66
Rot. Bonds5

About 1-(cyclopropylmethyl)-4-(1-ethoxyethenyl)piperidine

1-(cyclopropylmethyl)-4-(1-ethoxyethenyl)piperidine (PubChem CID 129209109) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-4-(1-ethoxyethenyl)piperidine.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-4-(1-ethoxyethenyl)piperidine
PubChem CID129209109
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name1-(cyclopropylmethyl)-4-(1-ethoxyethenyl)piperidine
SMILESC=C(OCC)C1CCN(CC2CC2)CC1
InChIInChI=1S/C13H23NO/c1-3-15-11(2)13-6-8-14(9-7-13)10-12-4-5-12/h12-13H,2-10H2,1H3
InChIKeyCAMJNHCAHQVRKZ-UHFFFAOYSA-N
XLogP2.66
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-4-(1-ethoxyethenyl)piperidine?
The IUPAC name of 1-(cyclopropylmethyl)-4-(1-ethoxyethenyl)piperidine (CID 129209109) is 1-(cyclopropylmethyl)-4-(1-ethoxyethenyl)piperidine.
What is the SMILES notation for 1-(cyclopropylmethyl)-4-(1-ethoxyethenyl)piperidine?
The canonical SMILES for 1-(cyclopropylmethyl)-4-(1-ethoxyethenyl)piperidine is C=C(OCC)C1CCN(CC2CC2)CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-4-(1-ethoxyethenyl)piperidine?
The InChIKey is CAMJNHCAHQVRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-3-15-11(2)13-6-8-14(9-7-13)10-12-4-5-12/h12-13H,2-10H2,1H3.
What are the key properties of 1-(cyclopropylmethyl)-4-(1-ethoxyethenyl)piperidine?
1-(cyclopropylmethyl)-4-(1-ethoxyethenyl)piperidine has a molecular weight of 209.33 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-4-(1-ethoxyethenyl)piperidine is sourced from PubChem (CID 129209109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).