4-[2-(1-methoxycyclobutyl)ethylidene]piperidine

C12H21NO — CID 130706830

IUPAC4-[2-(1-methoxycyclobutyl)ethylidene]piperidine
SMILESCOC1(CC=C2CCNCC2)CCC1
InChIInChI=1S/C12H21NO/c1-14-12(6-2-7-12)8-3-11-4-9-13-10-5-11/h3,13H,2,4-10H2,1H3
InChIKeyUXHSTDSPDJYNCY-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.26
Rot. Bonds3

About 4-[2-(1-methoxycyclobutyl)ethylidene]piperidine

4-[2-(1-methoxycyclobutyl)ethylidene]piperidine (PubChem CID 130706830) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 4-[2-(1-methoxycyclobutyl)ethylidene]piperidine.

Molecular Properties

Compound Name4-[2-(1-methoxycyclobutyl)ethylidene]piperidine
PubChem CID130706830
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name4-[2-(1-methoxycyclobutyl)ethylidene]piperidine
SMILESCOC1(CC=C2CCNCC2)CCC1
InChIInChI=1S/C12H21NO/c1-14-12(6-2-7-12)8-3-11-4-9-13-10-5-11/h3,13H,2,4-10H2,1H3
InChIKeyUXHSTDSPDJYNCY-UHFFFAOYSA-N
XLogP2.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.26
H-Bond Donors ≤ 51
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 4-[2-(1-methoxycyclobutyl)ethylidene]piperidine?
The IUPAC name of 4-[2-(1-methoxycyclobutyl)ethylidene]piperidine (CID 130706830) is 4-[2-(1-methoxycyclobutyl)ethylidene]piperidine.
What is the SMILES notation for 4-[2-(1-methoxycyclobutyl)ethylidene]piperidine?
The canonical SMILES for 4-[2-(1-methoxycyclobutyl)ethylidene]piperidine is COC1(CC=C2CCNCC2)CCC1.
What is the InChIKey of 4-[2-(1-methoxycyclobutyl)ethylidene]piperidine?
The InChIKey is UXHSTDSPDJYNCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-14-12(6-2-7-12)8-3-11-4-9-13-10-5-11/h3,13H,2,4-10H2,1H3.
What are the key properties of 4-[2-(1-methoxycyclobutyl)ethylidene]piperidine?
4-[2-(1-methoxycyclobutyl)ethylidene]piperidine has a molecular weight of 195.31 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-methoxycyclobutyl)ethylidene]piperidine is sourced from PubChem (CID 130706830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).