3-(1-methoxypropan-2-ylidene)piperidine

C9H17NO — CID 104863207

IUPAC3-(1-methoxypropan-2-ylidene)piperidine
SMILESCOCC(C)=C1CCCNC1
InChIInChI=1S/C9H17NO/c1-8(7-11-2)9-4-3-5-10-6-9/h10H,3-7H2,1-2H3
InChIKeyVQFQJRODRWFBDZ-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.33
Rot. Bonds2

About 3-(1-methoxypropan-2-ylidene)piperidine

3-(1-methoxypropan-2-ylidene)piperidine (PubChem CID 104863207) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 3-(1-methoxypropan-2-ylidene)piperidine.

Molecular Properties

Compound Name3-(1-methoxypropan-2-ylidene)piperidine
PubChem CID104863207
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name3-(1-methoxypropan-2-ylidene)piperidine
SMILESCOCC(C)=C1CCCNC1
InChIInChI=1S/C9H17NO/c1-8(7-11-2)9-4-3-5-10-6-9/h10H,3-7H2,1-2H3
InChIKeyVQFQJRODRWFBDZ-UHFFFAOYSA-N
XLogP1.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.33
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

4-(1-Fluoro-2-methoxyethylidene)piperidine
CID 178069082
3,4-Dimethyl-1-oxa-8-azaspiro[4.5]dec-3-ene
CID 58641852
3,4-Dimethyl-1-oxa-8-azaspiro[4.5]dec-3-ene;ethane
CID 91306230
4-(2-Methoxyethylidene)piperidine
CID 115011443
4-(2,3,4-Trimethylpent-3-en-2-yloxy)piperidine
CID 174866629
3-(Oxolan-3-ylidene)piperidine
CID 79880721
4-(1-Methoxypropan-2-ylidene)azepane
CID 104863211
2-(4-Methoxy-2,3-dimethylbut-2-enyl)piperidine
CID 104863212
3-(4-Methoxybutan-2-ylidene)piperidine
CID 104881761
4-(Oxan-3-ylidene)piperidine
CID 107138027
3-(Oxan-3-ylidene)piperidine
CID 107138028
(3E)-3-(2-methoxyethylidene)piperidine
CID 115011442

Frequently Asked Questions

What is the IUPAC name of 3-(1-methoxypropan-2-ylidene)piperidine?
The IUPAC name of 3-(1-methoxypropan-2-ylidene)piperidine (CID 104863207) is 3-(1-methoxypropan-2-ylidene)piperidine.
What is the SMILES notation for 3-(1-methoxypropan-2-ylidene)piperidine?
The canonical SMILES for 3-(1-methoxypropan-2-ylidene)piperidine is COCC(C)=C1CCCNC1.
What is the InChIKey of 3-(1-methoxypropan-2-ylidene)piperidine?
The InChIKey is VQFQJRODRWFBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-8(7-11-2)9-4-3-5-10-6-9/h10H,3-7H2,1-2H3.
What are the key properties of 3-(1-methoxypropan-2-ylidene)piperidine?
3-(1-methoxypropan-2-ylidene)piperidine has a molecular weight of 155.24 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methoxypropan-2-ylidene)piperidine is sourced from PubChem (CID 104863207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).