8-ethyl-3-piperidin-4-yl-6,7,8,9-tetrahydro-5H-1-benzazepine

C17H26N2 — CID 155373414

IUPAC8-ethyl-3-piperidin-4-yl-6,7,8,9-tetrahydro-5H-1-benzazepine
SMILESCCC1CCC2=C(C1)N=CC(C1CCNCC1)=CC2
InChIInChI=1S/C17H26N2/c1-2-13-3-4-15-5-6-16(12-19-17(15)11-13)14-7-9-18-10-8-14/h6,12-14,18H,2-5,7-11H2,1H3
InChIKeyIPPBTKOIKOOXQU-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.85
Rot. Bonds2

About 8-ethyl-3-piperidin-4-yl-6,7,8,9-tetrahydro-5H-1-benzazepine

8-ethyl-3-piperidin-4-yl-6,7,8,9-tetrahydro-5H-1-benzazepine (PubChem CID 155373414) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 8-ethyl-3-piperidin-4-yl-6,7,8,9-tetrahydro-5H-1-benzazepine.

Molecular Properties

Compound Name8-ethyl-3-piperidin-4-yl-6,7,8,9-tetrahydro-5H-1-benzazepine
PubChem CID155373414
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name8-ethyl-3-piperidin-4-yl-6,7,8,9-tetrahydro-5H-1-benzazepine
SMILESCCC1CCC2=C(C1)N=CC(C1CCNCC1)=CC2
InChIInChI=1S/C17H26N2/c1-2-13-3-4-15-5-6-16(12-19-17(15)11-13)14-7-9-18-10-8-14/h6,12-14,18H,2-5,7-11H2,1H3
InChIKeyIPPBTKOIKOOXQU-UHFFFAOYSA-N
XLogP3.85
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Octahydro phenanthroline
CID 68636564
5-[2-(2-fluoroethyl)cyclobutyl]-2-[2-[(2R)-2-methylpiperidin-4-yl]ethyl]-2,3-dihydropyridine
CID 163443495
6-Methyl-3-piperidin-4-yl-3,4-dihydropyridine
CID 69355119
3-N-(2-cyclohex-3-en-1-yl-4-methylcyclohexen-1-yl)-5-iminopentane-1,3-diamine
CID 89395409
5-Methyl-3-(piperidin-4-ylmethyl)-2,3-dihydropyridine
CID 91459524
7-ethyl-5-(2-piperidin-4-ylethyl)-4H-azepine
CID 123370701
2-Methyl-5-piperidin-4-yl-2,3-dihydropyridine
CID 123831605
7-(4-Piperidin-4-ylcyclohex-3-en-1-yl)-2,3-dihydropyrido[3,4-b]pyrazine
CID 123939603
(Z)-N-methyl-3-(4-methylcyclohexen-1-yl)-2-piperidin-4-ylprop-2-en-1-imine
CID 126517181
2-Methyl-6-(piperidin-4-ylmethyl)-1-azacyclohepta-2,3,5,7-tetraene
CID 134406694
N-heptyl-1-[3-methyl-4-(4-prop-1-en-2-ylpiperidin-4-yl)cyclohexa-1,3-dien-1-yl]methanimine
CID 138614306
4,6-dimethyl-2-piperidin-3-yl-4H-azepine
CID 143003990

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-3-piperidin-4-yl-6,7,8,9-tetrahydro-5H-1-benzazepine?
The IUPAC name of 8-ethyl-3-piperidin-4-yl-6,7,8,9-tetrahydro-5H-1-benzazepine (CID 155373414) is 8-ethyl-3-piperidin-4-yl-6,7,8,9-tetrahydro-5H-1-benzazepine.
What is the SMILES notation for 8-ethyl-3-piperidin-4-yl-6,7,8,9-tetrahydro-5H-1-benzazepine?
The canonical SMILES for 8-ethyl-3-piperidin-4-yl-6,7,8,9-tetrahydro-5H-1-benzazepine is CCC1CCC2=C(C1)N=CC(C1CCNCC1)=CC2.
What is the InChIKey of 8-ethyl-3-piperidin-4-yl-6,7,8,9-tetrahydro-5H-1-benzazepine?
The InChIKey is IPPBTKOIKOOXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-2-13-3-4-15-5-6-16(12-19-17(15)11-13)14-7-9-18-10-8-14/h6,12-14,18H,2-5,7-11H2,1H3.
What are the key properties of 8-ethyl-3-piperidin-4-yl-6,7,8,9-tetrahydro-5H-1-benzazepine?
8-ethyl-3-piperidin-4-yl-6,7,8,9-tetrahydro-5H-1-benzazepine has a molecular weight of 258.41 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-3-piperidin-4-yl-6,7,8,9-tetrahydro-5H-1-benzazepine is sourced from PubChem (CID 155373414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).