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

C17H23NO2 — CID 117436349

IUPAC3-(8-methylspiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-7-yl)piperidine
SMILESCc1cc2c(cc1C1CCCNC1)OCC1(CC1)CO2
InChIInChI=1S/C17H23NO2/c1-12-7-15-16(20-11-17(4-5-17)10-19-15)8-14(12)13-3-2-6-18-9-13/h7-8,13,18H,2-6,9-11H2,1H3
InChIKeyFUNZDERASVKSMR-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.01
Rot. Bonds1

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

3-(8-methylspiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-7-yl)piperidine (PubChem CID 117436349) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-(8-methylspiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-7-yl)piperidine.

Molecular Properties

Compound Name3-(8-methylspiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-7-yl)piperidine
PubChem CID117436349
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name3-(8-methylspiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-7-yl)piperidine
SMILESCc1cc2c(cc1C1CCCNC1)OCC1(CC1)CO2
InChIInChI=1S/C17H23NO2/c1-12-7-15-16(20-11-17(4-5-17)10-19-15)8-14(12)13-3-2-6-18-9-13/h7-8,13,18H,2-6,9-11H2,1H3
InChIKeyFUNZDERASVKSMR-UHFFFAOYSA-N
XLogP3.01
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 ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine
CID 117371269
3-(2,2,6-trimethyl-1,3-benzodioxol-5-yl)piperidine
CID 117371265
3-[(8-methylspiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-7-yl)methyl]piperidine
CID 117464049
2-(8-methylspiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-7-yl)piperidine
CID 117436351
(3S)-3-(2,5-dimethylphenyl)piperidine
CID 92981749
3-(2,4-dimethylphenyl)piperidine
CID 10535662
3-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)piperidine
CID 117387263
2,4-dimethyl-5-piperidin-3-ylpyridine
CID 83829631
3-[6-(1,1-difluoroethyl)-1,3-benzodioxol-5-yl]piperidine
CID 117426259
4,5-dimethyl-2-piperidin-3-ylaniline
CID 166143865
5-(8-methylspiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-7-yl)pyrrolidine-3-carboxylic acid
CID 117488415
3-[7-(1,1-difluoroethyl)-3,4-dihydro-2H-1,5-benzodioxepin-8-yl]piperidine
CID 117478896

Frequently Asked Questions

What is the IUPAC name of 3-(8-methylspiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-7-yl)piperidine?
The IUPAC name of 3-(8-methylspiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-7-yl)piperidine (CID 117436349) is 3-(8-methylspiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-7-yl)piperidine.
What is the SMILES notation for 3-(8-methylspiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-7-yl)piperidine?
The canonical SMILES for 3-(8-methylspiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-7-yl)piperidine is Cc1cc2c(cc1C1CCCNC1)OCC1(CC1)CO2.
What is the InChIKey of 3-(8-methylspiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-7-yl)piperidine?
The InChIKey is FUNZDERASVKSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-12-7-15-16(20-11-17(4-5-17)10-19-15)8-14(12)13-3-2-6-18-9-13/h7-8,13,18H,2-6,9-11H2,1H3.
What are the key properties of 3-(8-methylspiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-7-yl)piperidine?
3-(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 3.01, 1 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)piperidine is sourced from PubChem (CID 117436349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).