8-(2-ethylpiperidin-1-yl)-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine;dihydrobromide

C15H25Br2N3O — CID 67280231

IUPAC8-(2-ethylpiperidin-1-yl)-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine;dihydrobromide
SMILESBr.Br.CCC1CCCCN1c1ccc2c(n1)OCCNC2
InChIInChI=1S/C15H23N3O.2BrH/c1-2-13-5-3-4-9-18(13)14-7-6-12-11-16-8-10-19-15(12)17-14;;/h6-7,13,16H,2-5,8-11H2,1H3;2*1H
InChIKeyVCBZSCKTLVLBFG-UHFFFAOYSA-N
MW423.19 g/mol
LogP3.49
Rot. Bonds2

About 8-(2-ethylpiperidin-1-yl)-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine;dihydrobromide

8-(2-ethylpiperidin-1-yl)-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine;dihydrobromide (PubChem CID 67280231) has the molecular formula C15H25Br2N3O and a molecular weight of 423.19 g/mol. Its IUPAC name is 8-(2-ethylpiperidin-1-yl)-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine;dihydrobromide.

Molecular Properties

Compound Name8-(2-ethylpiperidin-1-yl)-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine;dihydrobromide
PubChem CID67280231
Molecular FormulaC15H25Br2N3O
Molecular Weight423.19 g/mol
Exact Mass421.04
IUPAC Name8-(2-ethylpiperidin-1-yl)-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine;dihydrobromide
SMILESBr.Br.CCC1CCCCN1c1ccc2c(n1)OCCNC2
InChIInChI=1S/C15H23N3O.2BrH/c1-2-13-5-3-4-9-18(13)14-7-6-12-11-16-8-10-19-15(12)17-14;;/h6-7,13,16H,2-5,8-11H2,1H3;2*1H
InChIKeyVCBZSCKTLVLBFG-UHFFFAOYSA-N
XLogP3.49
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.19
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-(2-ethylpiperidin-1-yl)-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine;dihydrobromide with MolForge

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Related Compounds

8-[(2R)-2-methylpiperidin-1-yl]-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine;hydrochloride
CID 67279684
tert-butyl 8-(2-ethylpiperidin-1-yl)-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepine-4-carboxylate
CID 91270555
4,6-bis(2-ethylpiperidin-1-yl)-2-methylpyrimidine
CID 112876455
N-butan-2-yl-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepin-8-amine;dihydrobromide
CID 67279766
1-[4-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-2-yl]azepane
CID 112925859
4-(2-ethylpiperidin-1-yl)-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidine
CID 112914013
3-(2-ethylpiperidin-1-yl)-6-methylsulfanylpyridazine
CID 133381363
2-[4-(2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepin-8-yl)piperazin-1-yl]propanoic acid
CID 123554068
4-(2-ethylazepan-1-yl)-N,6-dimethylpyrimidin-2-amine
CID 113442061
6-(2-ethylazepan-1-yl)-2-methoxypyridin-3-amine
CID 104688787
3-chloro-6-(2-ethylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 43266685
4-(2-ethylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563976

Frequently Asked Questions

What is the IUPAC name of 8-(2-ethylpiperidin-1-yl)-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine;dihydrobromide?
The IUPAC name of 8-(2-ethylpiperidin-1-yl)-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine;dihydrobromide (CID 67280231) is 8-(2-ethylpiperidin-1-yl)-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine;dihydrobromide.
What is the SMILES notation for 8-(2-ethylpiperidin-1-yl)-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine;dihydrobromide?
The canonical SMILES for 8-(2-ethylpiperidin-1-yl)-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine;dihydrobromide is Br.Br.CCC1CCCCN1c1ccc2c(n1)OCCNC2.
What is the InChIKey of 8-(2-ethylpiperidin-1-yl)-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine;dihydrobromide?
The InChIKey is VCBZSCKTLVLBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O.2BrH/c1-2-13-5-3-4-9-18(13)14-7-6-12-11-16-8-10-19-15(12)17-14;;/h6-7,13,16H,2-5,8-11H2,1H3;2*1H.
What are the key properties of 8-(2-ethylpiperidin-1-yl)-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine;dihydrobromide?
8-(2-ethylpiperidin-1-yl)-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine;dihydrobromide has a molecular weight of 423.19 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-ethylpiperidin-1-yl)-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine;dihydrobromide is sourced from PubChem (CID 67280231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).