3-[(8-methylspiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-7-yl)methyl]piperidine

C18H25NO2 — CID 117464049

IUPAC3-[(8-methylspiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-7-yl)methyl]piperidine
SMILESCc1cc2c(cc1CC1CCCNC1)OCC1(CC1)CO2
InChIInChI=1S/C18H25NO2/c1-13-7-16-17(21-12-18(4-5-18)11-20-16)9-15(13)8-14-3-2-6-19-10-14/h7,9,14,19H,2-6,8,10-12H2,1H3
InChIKeyCIPOTQLNZGXNCE-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.09
Rot. Bonds2

About 3-[(8-methylspiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-7-yl)methyl]piperidine

3-[(8-methylspiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-7-yl)methyl]piperidine (PubChem CID 117464049) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 3-[(8-methylspiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-7-yl)methyl]piperidine.

Molecular Properties

Compound Name3-[(8-methylspiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-7-yl)methyl]piperidine
PubChem CID117464049
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name3-[(8-methylspiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-7-yl)methyl]piperidine
SMILESCc1cc2c(cc1CC1CCCNC1)OCC1(CC1)CO2
InChIInChI=1S/C18H25NO2/c1-13-7-16-17(21-12-18(4-5-18)11-20-16)9-15(13)8-14-3-2-6-19-10-14/h7,9,14,19H,2-6,8,10-12H2,1H3
InChIKeyCIPOTQLNZGXNCE-UHFFFAOYSA-N
XLogP3.09
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(8-methylspiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-7-yl)methyl]piperidine with MolForge

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Related Compounds

3-[(6-methyl-1,3-benzodioxol-5-yl)methyl]piperidine
CID 84796209
3-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperidine
CID 82498563
3-(8-methylspiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-7-yl)piperidine
CID 117436349
3-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]piperidine
CID 116925655
3-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine
CID 117413184
4-[(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]piperidine
CID 117408332
2-chloro-4-methyl-5-(piperidin-3-ylmethyl)phenol
CID 84800060
3-[(6,7-dimethyl-1,3-benzodioxol-4-yl)methyl]piperidine
CID 117371526
2-bromo-5-methyl-4-(piperidin-3-ylmethyl)phenol
CID 84812910
3-[[6-(2-fluoropropan-2-yl)-1,3-benzodioxol-5-yl]methyl]piperidine
CID 117448101
3-[(6-bromo-7-methyl-1,3-benzodioxol-5-yl)methyl]piperidine
CID 117497278
3-[(5-methoxy-2-methylphenyl)methyl]piperidine
CID 84786963

Frequently Asked Questions

What is the IUPAC name of 3-[(8-methylspiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-7-yl)methyl]piperidine?
The IUPAC name of 3-[(8-methylspiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-7-yl)methyl]piperidine (CID 117464049) is 3-[(8-methylspiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-7-yl)methyl]piperidine.
What is the SMILES notation for 3-[(8-methylspiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-7-yl)methyl]piperidine?
The canonical SMILES for 3-[(8-methylspiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-7-yl)methyl]piperidine is Cc1cc2c(cc1CC1CCCNC1)OCC1(CC1)CO2.
What is the InChIKey of 3-[(8-methylspiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-7-yl)methyl]piperidine?
The InChIKey is CIPOTQLNZGXNCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-13-7-16-17(21-12-18(4-5-18)11-20-16)9-15(13)8-14-3-2-6-19-10-14/h7,9,14,19H,2-6,8,10-12H2,1H3.
What are the key properties of 3-[(8-methylspiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-7-yl)methyl]piperidine?
3-[(8-methylspiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-7-yl)methyl]piperidine has a molecular weight of 287.40 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(8-methylspiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-7-yl)methyl]piperidine is sourced from PubChem (CID 117464049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).