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

C17H23NO2 — CID 117436351

IUPAC2-(8-methylspiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-7-yl)piperidine
SMILESCc1cc2c(cc1C1CCCCN1)OCC1(CC1)CO2
InChIInChI=1S/C17H23NO2/c1-12-8-15-16(20-11-17(5-6-17)10-19-15)9-13(12)14-4-2-3-7-18-14/h8-9,14,18H,2-7,10-11H2,1H3
InChIKeyZOCMOJRVNLVCNH-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.36
Rot. Bonds1

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

2-(8-methylspiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-7-yl)piperidine (PubChem CID 117436351) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-(8-methylspiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-7-yl)piperidine.

Molecular Properties

Compound Name2-(8-methylspiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-7-yl)piperidine
PubChem CID117436351
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name2-(8-methylspiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-7-yl)piperidine
SMILESCc1cc2c(cc1C1CCCCN1)OCC1(CC1)CO2
InChIInChI=1S/C17H23NO2/c1-12-8-15-16(20-11-17(5-6-17)10-19-15)9-13(12)14-4-2-3-7-18-14/h8-9,14,18H,2-7,10-11H2,1H3
InChIKeyZOCMOJRVNLVCNH-UHFFFAOYSA-N
XLogP3.36
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(8-methylspiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-7-yl)piperidine
CID 117436349
2-(7-chloro-3,3-dimethyl-2,4-dihydro-1,5-benzodioxepin-8-yl)piperidine
CID 117476724
5-(8-methylspiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-7-yl)pyrrolidine-3-carboxylic acid
CID 117488415
2,5-dimethyl-4-piperidin-2-ylaniline
CID 58255114
(2R)-2-(7-methyl-3,4-dihydro-2H-chromen-6-yl)pyrrolidine
CID 66518876
2-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)piperidine
CID 117371289
2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)piperidine
CID 117387275
3-[(8-methylspiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-7-yl)methyl]piperidine
CID 117464049
2-(5-bromo-4-chloro-2-methylphenyl)piperidine
CID 84814511
2-fluoro-4-methyl-5-piperidin-2-ylphenol
CID 84780709
(2S)-2-(4-fluoro-2-methylphenyl)piperidine
CID 55278633
2-(6-bromo-7-methyl-1,3-benzodioxol-5-yl)piperidine
CID 117480024

Frequently Asked Questions

What is the IUPAC name of 2-(8-methylspiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-7-yl)piperidine?
The IUPAC name of 2-(8-methylspiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-7-yl)piperidine (CID 117436351) is 2-(8-methylspiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-7-yl)piperidine.
What is the SMILES notation for 2-(8-methylspiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-7-yl)piperidine?
The canonical SMILES for 2-(8-methylspiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-7-yl)piperidine is Cc1cc2c(cc1C1CCCCN1)OCC1(CC1)CO2.
What is the InChIKey of 2-(8-methylspiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-7-yl)piperidine?
The InChIKey is ZOCMOJRVNLVCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-12-8-15-16(20-11-17(5-6-17)10-19-15)9-13(12)14-4-2-3-7-18-14/h8-9,14,18H,2-7,10-11H2,1H3.
What are the key properties of 2-(8-methylspiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-7-yl)piperidine?
2-(8-methylspiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-7-yl)piperidine has a molecular weight of 273.38 g/mol, XLogP of 3.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-methylspiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-7-yl)piperidine is sourced from PubChem (CID 117436351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).