(1R,8R)-1'-methylspiro[11-oxa-3-azatricyclo[6.2.1.01,6]undec-9-ene-4,4'-piperidine]

C14H22N2O — CID 154808840

IUPAC(1R,8R)-1'-methylspiro[11-oxa-3-azatricyclo[6.2.1.01,6]undec-9-ene-4,4'-piperidine]
SMILESCN1CCC2(CC1)CC1C[C@@H]3C=C[C@]1(CN2)O3
InChIInChI=1S/C14H22N2O/c1-16-6-4-13(5-7-16)9-11-8-12-2-3-14(11,17-12)10-15-13/h2-3,11-12,15H,4-10H2,1H3/t11?,12-,14+/m0/s1
InChIKeyIOXUZCGQDWCBPF-VBVNFKHJSA-N
MW234.34 g/mol
LogP1.16
Rot. Bonds

About (1R,8R)-1'-methylspiro[11-oxa-3-azatricyclo[6.2.1.01,6]undec-9-ene-4,4'-piperidine]

(1R,8R)-1'-methylspiro[11-oxa-3-azatricyclo[6.2.1.01,6]undec-9-ene-4,4'-piperidine] (PubChem CID 154808840) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is (1R,8R)-1'-methylspiro[11-oxa-3-azatricyclo[6.2.1.01,6]undec-9-ene-4,4'-piperidine].

Molecular Properties

Compound Name(1R,8R)-1'-methylspiro[11-oxa-3-azatricyclo[6.2.1.01,6]undec-9-ene-4,4'-piperidine]
PubChem CID154808840
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name(1R,8R)-1'-methylspiro[11-oxa-3-azatricyclo[6.2.1.01,6]undec-9-ene-4,4'-piperidine]
SMILESCN1CCC2(CC1)CC1C[C@@H]3C=C[C@]1(CN2)O3
InChIInChI=1S/C14H22N2O/c1-16-6-4-13(5-7-16)9-11-8-12-2-3-14(11,17-12)10-15-13/h2-3,11-12,15H,4-10H2,1H3/t11?,12-,14+/m0/s1
InChIKeyIOXUZCGQDWCBPF-VBVNFKHJSA-N
XLogP1.16
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (1R,8R)-1'-methylspiro[11-oxa-3-azatricyclo[6.2.1.01,6]undec-9-ene-4,4'-piperidine] with MolForge

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Related Compounds

6-methyl-1,6-diazaspiro[2.4]heptane
CID 148820818
N-[(3R)-8-methyl-1,8-diazaspiro[4.5]decan-3-yl]acetamide
CID 124641834
ethane;8-methyl-1,8-diazaspiro[4.5]decane
CID 144717621
(2R)-2,3,4,8-tetramethyl-1-oxa-8-azaspiro[4.5]dec-3-ene
CID 177161814
10-methyl-3-oxa-7,10-diazaspiro[5.6]dodecane;dihydrochloride
CID 138015579
6-propan-2-yl-1,6-diazaspiro[2.5]octane
CID 58584452
7-methyl-2,7-diazaspiro[3.5]nonane;molecular hydrogen
CID 162530655
7-methyl-2,7-diazaspiro[3.5]nonane;propane
CID 171103459
ethane;7-methyl-2-propan-2-yl-1-oxa-7-azaspiro[3.5]nonane
CID 170728342
6-propan-2-yl-1,6-diazaspiro[2.4]heptane
CID 155640500
6-methyl-1-oxa-6-azaspiro[2.5]octan-2-one
CID 21055565
sodium;4,4-di(ethyl)-1-methylpiperidine;ethane
CID 177136872

Frequently Asked Questions

What is the IUPAC name of (1R,8R)-1'-methylspiro[11-oxa-3-azatricyclo[6.2.1.01,6]undec-9-ene-4,4'-piperidine]?
The IUPAC name of (1R,8R)-1'-methylspiro[11-oxa-3-azatricyclo[6.2.1.01,6]undec-9-ene-4,4'-piperidine] (CID 154808840) is (1R,8R)-1'-methylspiro[11-oxa-3-azatricyclo[6.2.1.01,6]undec-9-ene-4,4'-piperidine].
What is the SMILES notation for (1R,8R)-1'-methylspiro[11-oxa-3-azatricyclo[6.2.1.01,6]undec-9-ene-4,4'-piperidine]?
The canonical SMILES for (1R,8R)-1'-methylspiro[11-oxa-3-azatricyclo[6.2.1.01,6]undec-9-ene-4,4'-piperidine] is CN1CCC2(CC1)CC1C[C@@H]3C=C[C@]1(CN2)O3.
What is the InChIKey of (1R,8R)-1'-methylspiro[11-oxa-3-azatricyclo[6.2.1.01,6]undec-9-ene-4,4'-piperidine]?
The InChIKey is IOXUZCGQDWCBPF-VBVNFKHJSA-N. The full InChI is InChI=1S/C14H22N2O/c1-16-6-4-13(5-7-16)9-11-8-12-2-3-14(11,17-12)10-15-13/h2-3,11-12,15H,4-10H2,1H3/t11?,12-,14+/m0/s1.
What are the key properties of (1R,8R)-1'-methylspiro[11-oxa-3-azatricyclo[6.2.1.01,6]undec-9-ene-4,4'-piperidine]?
(1R,8R)-1'-methylspiro[11-oxa-3-azatricyclo[6.2.1.01,6]undec-9-ene-4,4'-piperidine] has a molecular weight of 234.34 g/mol, XLogP of 1.16, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,8R)-1'-methylspiro[11-oxa-3-azatricyclo[6.2.1.01,6]undec-9-ene-4,4'-piperidine] is sourced from PubChem (CID 154808840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).