2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]piperidine

C16H23NO2 — CID 60869539

IUPAC2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]piperidine
SMILESc1cc2c(cc1CCC1CCCCN1)OCCCO2
InChIInChI=1S/C16H23NO2/c1-2-9-17-14(4-1)7-5-13-6-8-15-16(12-13)19-11-3-10-18-15/h6,8,12,14,17H,1-5,7,9-11H2
InChIKeyRKSMOQWCUDFQKO-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.92
Rot. Bonds3

About 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]piperidine

2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]piperidine (PubChem CID 60869539) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]piperidine.

Molecular Properties

Compound Name2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]piperidine
PubChem CID60869539
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]piperidine
SMILESc1cc2c(cc1CCC1CCCCN1)OCCCO2
InChIInChI=1S/C16H23NO2/c1-2-9-17-14(4-1)7-5-13-6-8-15-16(12-13)19-11-3-10-18-15/h6,8,12,14,17H,1-5,7,9-11H2
InChIKeyRKSMOQWCUDFQKO-UHFFFAOYSA-N
XLogP2.92
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]azepane
CID 104703899
2-[2-(1,3-benzodioxol-5-ylmethoxy)ethyl]piperidine
CID 82354069
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)piperidine
CID 115480065
2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-ethylpiperidine
CID 114426180
[4-(2-piperidin-2-ylethyl)phenyl]methanol
CID 174898982
2-(1,3-benzodioxol-5-yl)-N-methyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 115208449
2-[2-(3-bromo-4-fluorophenyl)ethyl]piperidine
CID 104703716
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-piperidin-2-ylacetamide
CID 43151261
2-[2-(3-methylphenyl)ethyl]azepane
CID 62544067
2-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-N-(piperidin-2-ylmethyl)ethanamine
CID 106635582
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-pyrrolidin-2-ylethanone
CID 79536264
2-(2-pyridin-4-ylethyl)azepane
CID 104703875

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]piperidine?
The IUPAC name of 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]piperidine (CID 60869539) is 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]piperidine.
What is the SMILES notation for 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]piperidine?
The canonical SMILES for 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]piperidine is c1cc2c(cc1CCC1CCCCN1)OCCCO2.
What is the InChIKey of 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]piperidine?
The InChIKey is RKSMOQWCUDFQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-2-9-17-14(4-1)7-5-13-6-8-15-16(12-13)19-11-3-10-18-15/h6,8,12,14,17H,1-5,7,9-11H2.
What are the key properties of 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]piperidine?
2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]piperidine has a molecular weight of 261.37 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]piperidine is sourced from PubChem (CID 60869539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).