N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-1-ethylpiperidin-3-amine

C17H26N2O2 — CID 61171948

IUPACN-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-1-ethylpiperidin-3-amine
SMILESCCN1CCCC(NCc2ccc3c(c2)OCCCO3)C1
InChIInChI=1S/C17H26N2O2/c1-2-19-8-3-5-15(13-19)18-12-14-6-7-16-17(11-14)21-10-4-9-20-16/h6-7,11,15,18H,2-5,8-10,12-13H2,1H3
InChIKeyHREWMXYBLZPOCY-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.42
Rot. Bonds4

About N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-1-ethylpiperidin-3-amine

N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-1-ethylpiperidin-3-amine (PubChem CID 61171948) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-1-ethylpiperidin-3-amine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-1-ethylpiperidin-3-amine
PubChem CID61171948
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-1-ethylpiperidin-3-amine
SMILESCCN1CCCC(NCc2ccc3c(c2)OCCCO3)C1
InChIInChI=1S/C17H26N2O2/c1-2-19-8-3-5-15(13-19)18-12-14-6-7-16-17(11-14)21-10-4-9-20-16/h6-7,11,15,18H,2-5,8-10,12-13H2,1H3
InChIKeyHREWMXYBLZPOCY-UHFFFAOYSA-N
XLogP2.42
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-1-(1-ethylpyrrolidin-3-yl)methanamine
CID 60870505
N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-1-ethylpiperidin-3-amine
CID 61169201
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)cyclohexanamine;ethane
CID 142837750
N-[(3-cyclopropylphenyl)methyl]-1-ethylpiperidin-3-amine
CID 79978789
1-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-amine
CID 61169019
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethylamino)cyclohexan-1-ol
CID 60870118
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-1,3-dimethylpiperidin-4-amine
CID 115716425
1-ethyl-N-[(4-methyl-3-nitrophenyl)methyl]piperidin-3-amine
CID 61169013
1-ethyl-N-[(4-nitrophenyl)methyl]piperidin-3-amine
CID 61171344
1-ethyl-N-[(4-propan-2-yloxyphenyl)methyl]piperidin-3-amine
CID 61170766
1-ethyl-N-(pyrimidin-5-ylmethyl)piperidin-3-amine
CID 62759751
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-methylcyclohexan-1-amine
CID 28615139

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-1-ethylpiperidin-3-amine?
The IUPAC name of N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-1-ethylpiperidin-3-amine (CID 61171948) is N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-1-ethylpiperidin-3-amine.
What is the SMILES notation for N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-1-ethylpiperidin-3-amine?
The canonical SMILES for N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-1-ethylpiperidin-3-amine is CCN1CCCC(NCc2ccc3c(c2)OCCCO3)C1.
What is the InChIKey of N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-1-ethylpiperidin-3-amine?
The InChIKey is HREWMXYBLZPOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-2-19-8-3-5-15(13-19)18-12-14-6-7-16-17(11-14)21-10-4-9-20-16/h6-7,11,15,18H,2-5,8-10,12-13H2,1H3.
What are the key properties of N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-1-ethylpiperidin-3-amine?
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-1-ethylpiperidin-3-amine has a molecular weight of 290.41 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-1-ethylpiperidin-3-amine is sourced from PubChem (CID 61171948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).