2-(8-chloro-6-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine

C17H24ClNO2 — CID 117494550

IUPAC2-(8-chloro-6-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine
SMILESCC(C)c1c2c(cc(Cl)c1C1CCCCN1)OCCCO2
InChIInChI=1S/C17H24ClNO2/c1-11(2)15-16(13-6-3-4-7-19-13)12(18)10-14-17(15)21-9-5-8-20-14/h10-11,13,19H,3-9H2,1-2H3
InChIKeyXMXHNICRBDIRSW-UHFFFAOYSA-N
MW309.84 g/mol
LogP4.44
Rot. Bonds2

About 2-(8-chloro-6-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine

2-(8-chloro-6-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine (PubChem CID 117494550) has the molecular formula C17H24ClNO2 and a molecular weight of 309.84 g/mol. Its IUPAC name is 2-(8-chloro-6-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine.

Molecular Properties

Compound Name2-(8-chloro-6-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine
PubChem CID117494550
Molecular FormulaC17H24ClNO2
Molecular Weight309.84 g/mol
Exact Mass309.15
IUPAC Name2-(8-chloro-6-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine
SMILESCC(C)c1c2c(cc(Cl)c1C1CCCCN1)OCCCO2
InChIInChI=1S/C17H24ClNO2/c1-11(2)15-16(13-6-3-4-7-19-13)12(18)10-14-17(15)21-9-5-8-20-14/h10-11,13,19H,3-9H2,1-2H3
InChIKeyXMXHNICRBDIRSW-UHFFFAOYSA-N
XLogP4.44
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(8-chloro-6-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine
CID 117476778
3-(8-chloro-6-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine
CID 117476785
2-(8-chloro-6-ethyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine
CID 117452481
2-(8-chloro-7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)pyrrolidine
CID 117456238
2-(7-chloro-6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidine
CID 117387320
2-(8-bromo-6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine
CID 117497077
2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)piperidine
CID 117387275
2-(6-chloro-5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)piperidine
CID 117423106
2-(7-chloro-4-propan-2-yl-1,3-benzodioxol-5-yl)pyrrolidine
CID 117423026
1-(8-chloro-6-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanone
CID 117425412
4-(8-chloro-6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine
CID 117452512
7-fluoro-5-piperidin-2-yl-2,3-dihydro-1,4-benzodioxin-6-ol
CID 117385570

Frequently Asked Questions

What is the IUPAC name of 2-(8-chloro-6-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine?
The IUPAC name of 2-(8-chloro-6-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine (CID 117494550) is 2-(8-chloro-6-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine.
What is the SMILES notation for 2-(8-chloro-6-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine?
The canonical SMILES for 2-(8-chloro-6-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine is CC(C)c1c2c(cc(Cl)c1C1CCCCN1)OCCCO2.
What is the InChIKey of 2-(8-chloro-6-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine?
The InChIKey is XMXHNICRBDIRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO2/c1-11(2)15-16(13-6-3-4-7-19-13)12(18)10-14-17(15)21-9-5-8-20-14/h10-11,13,19H,3-9H2,1-2H3.
What are the key properties of 2-(8-chloro-6-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine?
2-(8-chloro-6-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine has a molecular weight of 309.84 g/mol, XLogP of 4.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-chloro-6-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine is sourced from PubChem (CID 117494550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).