1-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)piperidine

C15H21NO2 — CID 749534

IUPAC1-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)piperidine
SMILESc1ccc2c(c1)COC(CN1CCCCC1)OC2
InChIInChI=1S/C15H21NO2/c1-4-8-16(9-5-1)10-15-17-11-13-6-2-3-7-14(13)12-18-15/h2-3,6-7,15H,1,4-5,8-12H2
InChIKeyVRQWLIGTBWLJSB-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.55
Rot. Bonds2

About 1-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)piperidine

1-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)piperidine (PubChem CID 749534) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)piperidine.

Molecular Properties

Compound Name1-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)piperidine
PubChem CID749534
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)piperidine
SMILESc1ccc2c(c1)COC(CN1CCCCC1)OC2
InChIInChI=1S/C15H21NO2/c1-4-8-16(9-5-1)10-15-17-11-13-6-2-3-7-14(13)12-18-15/h2-3,6-7,15H,1,4-5,8-12H2
InChIKeyVRQWLIGTBWLJSB-UHFFFAOYSA-N
XLogP2.55
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)piperidine?
The IUPAC name of 1-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)piperidine (CID 749534) is 1-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)piperidine.
What is the SMILES notation for 1-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)piperidine?
The canonical SMILES for 1-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)piperidine is c1ccc2c(c1)COC(CN1CCCCC1)OC2.
What is the InChIKey of 1-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)piperidine?
The InChIKey is VRQWLIGTBWLJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-4-8-16(9-5-1)10-15-17-11-13-6-2-3-7-14(13)12-18-15/h2-3,6-7,15H,1,4-5,8-12H2.
What are the key properties of 1-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)piperidine?
1-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)piperidine has a molecular weight of 247.34 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)piperidine is sourced from PubChem (CID 749534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).