3,4-dihydro-2H-1,5-benzodioxepin-7-yl(piperidin-2-yl)methanamine

C15H22N2O2 — CID 116935656

IUPAC3,4-dihydro-2H-1,5-benzodioxepin-7-yl(piperidin-2-yl)methanamine
SMILESNC(c1ccc2c(c1)OCCCO2)C1CCCCN1
InChIInChI=1S/C15H22N2O2/c16-15(12-4-1-2-7-17-12)11-5-6-13-14(10-11)19-9-3-8-18-13/h5-6,10,12,15,17H,1-4,7-9,16H2
InChIKeyJCYUDEJFHMUONB-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.99
Rot. Bonds2

About 3,4-dihydro-2H-1,5-benzodioxepin-7-yl(piperidin-2-yl)methanamine

3,4-dihydro-2H-1,5-benzodioxepin-7-yl(piperidin-2-yl)methanamine (PubChem CID 116935656) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3,4-dihydro-2H-1,5-benzodioxepin-7-yl(piperidin-2-yl)methanamine.

Molecular Properties

Compound Name3,4-dihydro-2H-1,5-benzodioxepin-7-yl(piperidin-2-yl)methanamine
PubChem CID116935656
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name3,4-dihydro-2H-1,5-benzodioxepin-7-yl(piperidin-2-yl)methanamine
SMILESNC(c1ccc2c(c1)OCCCO2)C1CCCCN1
InChIInChI=1S/C15H22N2O2/c16-15(12-4-1-2-7-17-12)11-5-6-13-14(10-11)19-9-3-8-18-13/h5-6,10,12,15,17H,1-4,7-9,16H2
InChIKeyJCYUDEJFHMUONB-UHFFFAOYSA-N
XLogP1.99
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dihydro-2H-1,5-benzodioxepin-7-yl(pyrrolidin-2-yl)methanamine
CID 82296425
2-[3,4-dihydro-2H-1,5-benzodioxepin-7-yl(fluoro)methyl]piperidine
CID 106634988
2-[3,4-dihydro-2H-1,5-benzodioxepin-7-yl(fluoro)methyl]pyrrolidine
CID 106640425
cyclooctyl(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine
CID 65018205
(4-fluorophenyl)-piperidin-2-ylmethanamine
CID 116935636
(4-fluoro-3-methylphenyl)-piperidin-2-ylmethanamine
CID 116935640
1,3-benzodioxol-5-yl(cycloheptyl)methanamine
CID 82931380
1-(1,3-benzodioxol-5-yl)-N,N-dimethyl-1-pyrrolidin-2-ylmethanamine
CID 82296423
(S)-1,3-benzodioxol-5-yl(cyclohexyl)methanamine;hydrochloride
CID 171236430
1,3-benzoxazol-6-yl(pyrrolidin-2-yl)methanamine
CID 116935433
3-cyclopentyl-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propan-1-amine
CID 43197405
(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethane-1,2-diamine
CID 66516964

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-1,5-benzodioxepin-7-yl(piperidin-2-yl)methanamine?
The IUPAC name of 3,4-dihydro-2H-1,5-benzodioxepin-7-yl(piperidin-2-yl)methanamine (CID 116935656) is 3,4-dihydro-2H-1,5-benzodioxepin-7-yl(piperidin-2-yl)methanamine.
What is the SMILES notation for 3,4-dihydro-2H-1,5-benzodioxepin-7-yl(piperidin-2-yl)methanamine?
The canonical SMILES for 3,4-dihydro-2H-1,5-benzodioxepin-7-yl(piperidin-2-yl)methanamine is NC(c1ccc2c(c1)OCCCO2)C1CCCCN1.
What is the InChIKey of 3,4-dihydro-2H-1,5-benzodioxepin-7-yl(piperidin-2-yl)methanamine?
The InChIKey is JCYUDEJFHMUONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c16-15(12-4-1-2-7-17-12)11-5-6-13-14(10-11)19-9-3-8-18-13/h5-6,10,12,15,17H,1-4,7-9,16H2.
What are the key properties of 3,4-dihydro-2H-1,5-benzodioxepin-7-yl(piperidin-2-yl)methanamine?
3,4-dihydro-2H-1,5-benzodioxepin-7-yl(piperidin-2-yl)methanamine has a molecular weight of 262.35 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-1,5-benzodioxepin-7-yl(piperidin-2-yl)methanamine is sourced from PubChem (CID 116935656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).