4-(1-oxaspiro[4.4]nonan-2-ylmethylidene)piperidine

C14H23NO — CID 102902806

IUPAC4-(1-oxaspiro[4.4]nonan-2-ylmethylidene)piperidine
SMILESC(=C1CCNCC1)C1CCC2(CCCC2)O1
InChIInChI=1S/C14H23NO/c1-2-7-14(6-1)8-3-13(16-14)11-12-4-9-15-10-5-12/h11,13,15H,1-10H2
InChIKeyPKWYFGJNGNFJQR-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.79
Rot. Bonds1

About 4-(1-oxaspiro[4.4]nonan-2-ylmethylidene)piperidine

4-(1-oxaspiro[4.4]nonan-2-ylmethylidene)piperidine (PubChem CID 102902806) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 4-(1-oxaspiro[4.4]nonan-2-ylmethylidene)piperidine.

Molecular Properties

Compound Name4-(1-oxaspiro[4.4]nonan-2-ylmethylidene)piperidine
PubChem CID102902806
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name4-(1-oxaspiro[4.4]nonan-2-ylmethylidene)piperidine
SMILESC(=C1CCNCC1)C1CCC2(CCCC2)O1
InChIInChI=1S/C14H23NO/c1-2-7-14(6-1)8-3-13(16-14)11-12-4-9-15-10-5-12/h11,13,15H,1-10H2
InChIKeyPKWYFGJNGNFJQR-UHFFFAOYSA-N
XLogP2.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.79
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

(4E)-3-ethyl-4-ethylidene-1-oxa-8-azaspiro[4.5]decane
CID 137428982
4-[(1S)-2-methylcyclopropyl]-1-oxa-8-azaspiro[4.5]dec-3-ene
CID 177955579
(E)-2-cyclohexyl-N-ethyl-3-(oxolan-2-yl)prop-2-en-1-amine
CID 82838511
4-(1-Oxaspiro[4.5]decan-2-ylmethylidene)piperidine
CID 102902804
(3Z)-3-(1-oxaspiro[4.4]nonan-2-ylmethylidene)piperidine
CID 102902809
4-(1-Oxaspiro[4.4]nonan-2-ylmethylidene)cyclohexan-1-amine
CID 102902814
3-(1-Oxaspiro[4.5]decan-2-ylmethylidene)pyrrolidine
CID 102902820
(3Z)-3-(1-oxaspiro[4.4]nonan-2-ylmethylidene)pyrrolidine
CID 102902821
3-(1-Oxaspiro[4.5]decan-2-ylmethylidene)cyclopentan-1-amine
CID 102902823
3-(1-Oxaspiro[4.4]nonan-2-ylmethylidene)cyclohexan-1-amine
CID 102902830
(4Z)-4-(1-oxaspiro[4.4]nonan-2-ylmethylidene)azepane
CID 102902833
2-[2-Methyl-3-(1-oxaspiro[4.5]decan-2-yl)prop-2-enyl]piperidine
CID 102902835

Frequently Asked Questions

What is the IUPAC name of 4-(1-oxaspiro[4.4]nonan-2-ylmethylidene)piperidine?
The IUPAC name of 4-(1-oxaspiro[4.4]nonan-2-ylmethylidene)piperidine (CID 102902806) is 4-(1-oxaspiro[4.4]nonan-2-ylmethylidene)piperidine.
What is the SMILES notation for 4-(1-oxaspiro[4.4]nonan-2-ylmethylidene)piperidine?
The canonical SMILES for 4-(1-oxaspiro[4.4]nonan-2-ylmethylidene)piperidine is C(=C1CCNCC1)C1CCC2(CCCC2)O1.
What is the InChIKey of 4-(1-oxaspiro[4.4]nonan-2-ylmethylidene)piperidine?
The InChIKey is PKWYFGJNGNFJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-2-7-14(6-1)8-3-13(16-14)11-12-4-9-15-10-5-12/h11,13,15H,1-10H2.
What are the key properties of 4-(1-oxaspiro[4.4]nonan-2-ylmethylidene)piperidine?
4-(1-oxaspiro[4.4]nonan-2-ylmethylidene)piperidine has a molecular weight of 221.34 g/mol, XLogP of 2.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-oxaspiro[4.4]nonan-2-ylmethylidene)piperidine is sourced from PubChem (CID 102902806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).