2-[2-(oxan-3-ylidene)propyl]piperidine

C13H23NO — CID 107138036

IUPAC2-[2-(oxan-3-ylidene)propyl]piperidine
SMILESCC(CC1CCCCN1)=C1CCCOC1
InChIInChI=1S/C13H23NO/c1-11(12-5-4-8-15-10-12)9-13-6-2-3-7-14-13/h13-14H,2-10H2,1H3
InChIKeyYHTHYVOEWUSCLD-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.65
Rot. Bonds2

About 2-[2-(oxan-3-ylidene)propyl]piperidine

2-[2-(oxan-3-ylidene)propyl]piperidine (PubChem CID 107138036) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 2-[2-(oxan-3-ylidene)propyl]piperidine.

Molecular Properties

Compound Name2-[2-(oxan-3-ylidene)propyl]piperidine
PubChem CID107138036
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name2-[2-(oxan-3-ylidene)propyl]piperidine
SMILESCC(CC1CCCCN1)=C1CCCOC1
InChIInChI=1S/C13H23NO/c1-11(12-5-4-8-15-10-12)9-13-6-2-3-7-14-13/h13-14H,2-10H2,1H3
InChIKeyYHTHYVOEWUSCLD-UHFFFAOYSA-N
XLogP2.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.65
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-[(Z)-2-methyl-3-(5-methyloxolan-2-yl)prop-2-enyl]piperidine
CID 103143071
2-[2-Methyl-3-(oxolan-2-yl)prop-2-enyl]piperidine
CID 104855400
2-[2-Methyl-3-(oxan-4-yl)prop-2-enyl]piperidine
CID 104855403
2-[2-(Oxolan-3-ylidene)propyl]piperidine
CID 104855404
2-(4-Methoxy-2,3-dimethylbut-2-enyl)piperidine
CID 104863212
2-(5-Methoxy-2,3-dimethylpent-2-enyl)piperidine
CID 104881766
4-(Oxan-3-ylidene)piperidine
CID 107138027
3-(Oxan-3-ylidene)piperidine
CID 107138028
3-[2-(Oxan-3-ylidene)propyl]morpholine
CID 107138037
2-[2-(Oxan-4-ylidene)propyl]piperidine
CID 116010704
3-(Oxan-3-ylidene)-8-azabicyclo[3.2.1]octane
CID 130531796
2-[1-(Oxan-4-ylidene)ethyl]piperidine
CID 131182384

Frequently Asked Questions

What is the IUPAC name of 2-[2-(oxan-3-ylidene)propyl]piperidine?
The IUPAC name of 2-[2-(oxan-3-ylidene)propyl]piperidine (CID 107138036) is 2-[2-(oxan-3-ylidene)propyl]piperidine.
What is the SMILES notation for 2-[2-(oxan-3-ylidene)propyl]piperidine?
The canonical SMILES for 2-[2-(oxan-3-ylidene)propyl]piperidine is CC(CC1CCCCN1)=C1CCCOC1.
What is the InChIKey of 2-[2-(oxan-3-ylidene)propyl]piperidine?
The InChIKey is YHTHYVOEWUSCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-11(12-5-4-8-15-10-12)9-13-6-2-3-7-14-13/h13-14H,2-10H2,1H3.
What are the key properties of 2-[2-(oxan-3-ylidene)propyl]piperidine?
2-[2-(oxan-3-ylidene)propyl]piperidine has a molecular weight of 209.33 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(oxan-3-ylidene)propyl]piperidine is sourced from PubChem (CID 107138036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).