4-(oxan-3-ylidene)piperidine

C10H17NO — CID 107138027

IUPAC4-(oxan-3-ylidene)piperidine
SMILESC1COCC(=C2CCNCC2)C1
InChIInChI=1S/C10H17NO/c1-2-10(8-12-7-1)9-3-5-11-6-4-9/h11H,1-8H2
InChIKeyPPZUGQHDLOCKOG-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.48
Rot. Bonds

About 4-(oxan-3-ylidene)piperidine

4-(oxan-3-ylidene)piperidine (PubChem CID 107138027) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 4-(oxan-3-ylidene)piperidine.

Molecular Properties

Compound Name4-(oxan-3-ylidene)piperidine
PubChem CID107138027
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name4-(oxan-3-ylidene)piperidine
SMILESC1COCC(=C2CCNCC2)C1
InChIInChI=1S/C10H17NO/c1-2-10(8-12-7-1)9-3-5-11-6-4-9/h11H,1-8H2
InChIKeyPPZUGQHDLOCKOG-UHFFFAOYSA-N
XLogP1.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.48
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

1,2,3,4,5,6,7,8,9,10-decahydro-3-benzazocine
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(1Z)-17-oxabicyclo[12.6.0]icos-1(14)-en-19-one
CID 102366173
oxane;piperazine
CID 20521858
aziridine;oxirane
CID 131637743
azepane;azocane;cycloheptane;cyclohexane;cyclooctane;cyclopentane;oxepane;oxocane
CID 157321050
cyclopentane;oxolane;pyrrolidine
CID 161204353
1-oxa-4,7,10-triazacyclotridecane
CID 22755933
cyclohexane;cyclopentane;cyclopropane;oxane;oxetane;oxolane;pyrrolidine
CID 161075401
cyclobutane;morpholine
CID 158402895
cyclohexanone;oxan-3-one
CID 158530231
azepane;cyclohexane;ethane;oxane;piperidine
CID 165096040
1-oxa-4,16-diazacyclohenicosane
CID 66747485

Frequently Asked Questions

What is the IUPAC name of 4-(oxan-3-ylidene)piperidine?
The IUPAC name of 4-(oxan-3-ylidene)piperidine (CID 107138027) is 4-(oxan-3-ylidene)piperidine.
What is the SMILES notation for 4-(oxan-3-ylidene)piperidine?
The canonical SMILES for 4-(oxan-3-ylidene)piperidine is C1COCC(=C2CCNCC2)C1.
What is the InChIKey of 4-(oxan-3-ylidene)piperidine?
The InChIKey is PPZUGQHDLOCKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-2-10(8-12-7-1)9-3-5-11-6-4-9/h11H,1-8H2.
What are the key properties of 4-(oxan-3-ylidene)piperidine?
4-(oxan-3-ylidene)piperidine has a molecular weight of 167.25 g/mol, XLogP of 1.48, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxan-3-ylidene)piperidine is sourced from PubChem (CID 107138027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).