(3Z)-3-(1-oxaspiro[4.4]nonan-2-ylmethylidene)piperidine

C14H23NO — CID 102902809

IUPAC(3Z)-3-(1-oxaspiro[4.4]nonan-2-ylmethylidene)piperidine
SMILESC(=C1/CCCNC1)\C1CCC2(CCCC2)O1
InChIInChI=1S/C14H23NO/c1-2-7-14(6-1)8-5-13(16-14)10-12-4-3-9-15-11-12/h10,13,15H,1-9,11H2/b12-10-
InChIKeySQJQIZKIPBORCB-BENRWUELSA-N
MW221.34 g/mol
LogP2.79
Rot. Bonds1

About (3Z)-3-(1-oxaspiro[4.4]nonan-2-ylmethylidene)piperidine

(3Z)-3-(1-oxaspiro[4.4]nonan-2-ylmethylidene)piperidine (PubChem CID 102902809) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is (3Z)-3-(1-oxaspiro[4.4]nonan-2-ylmethylidene)piperidine.

Molecular Properties

Compound Name(3Z)-3-(1-oxaspiro[4.4]nonan-2-ylmethylidene)piperidine
PubChem CID102902809
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name(3Z)-3-(1-oxaspiro[4.4]nonan-2-ylmethylidene)piperidine
SMILESC(=C1/CCCNC1)\C1CCC2(CCCC2)O1
InChIInChI=1S/C14H23NO/c1-2-7-14(6-1)8-5-13(16-14)10-12-4-3-9-15-11-12/h10,13,15H,1-9,11H2/b12-10-
InChIKeySQJQIZKIPBORCB-BENRWUELSA-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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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-(1-oxaspiro[4.4]nonan-2-ylmethylidene)piperidine?
The IUPAC name of (3Z)-3-(1-oxaspiro[4.4]nonan-2-ylmethylidene)piperidine (CID 102902809) is (3Z)-3-(1-oxaspiro[4.4]nonan-2-ylmethylidene)piperidine.
What is the SMILES notation for (3Z)-3-(1-oxaspiro[4.4]nonan-2-ylmethylidene)piperidine?
The canonical SMILES for (3Z)-3-(1-oxaspiro[4.4]nonan-2-ylmethylidene)piperidine is C(=C1/CCCNC1)\C1CCC2(CCCC2)O1.
What is the InChIKey of (3Z)-3-(1-oxaspiro[4.4]nonan-2-ylmethylidene)piperidine?
The InChIKey is SQJQIZKIPBORCB-BENRWUELSA-N. The full InChI is InChI=1S/C14H23NO/c1-2-7-14(6-1)8-5-13(16-14)10-12-4-3-9-15-11-12/h10,13,15H,1-9,11H2/b12-10-.
What are the key properties of (3Z)-3-(1-oxaspiro[4.4]nonan-2-ylmethylidene)piperidine?
(3Z)-3-(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 (3Z)-3-(1-oxaspiro[4.4]nonan-2-ylmethylidene)piperidine is sourced from PubChem (CID 102902809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).