(6Z,8E)-6-ethyl-8-piperidin-1-yl-5,10-dihydro-1,4-diazecine

C15H23N3 — CID 139420142

IUPAC(6Z,8E)-6-ethyl-8-piperidin-1-yl-5,10-dihydro-1,4-diazecine
SMILESCC/C1=C/C(N2CCCCC2)=C\C/N=C\C=N/C1
InChIInChI=1S/C15H23N3/c1-2-14-12-15(18-10-4-3-5-11-18)6-7-16-8-9-17-13-14/h6,8-9,12H,2-5,7,10-11,13H2,1H3/b14-12-,15-6+,16-8-,17-9-
InChIKeyABLPKQHGOINFPF-PJROENFPSA-N
MW245.37 g/mol
LogP2.85
Rot. Bonds2

About (6Z,8E)-6-ethyl-8-piperidin-1-yl-5,10-dihydro-1,4-diazecine

(6Z,8E)-6-ethyl-8-piperidin-1-yl-5,10-dihydro-1,4-diazecine (PubChem CID 139420142) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is (6Z,8E)-6-ethyl-8-piperidin-1-yl-5,10-dihydro-1,4-diazecine.

Molecular Properties

Compound Name(6Z,8E)-6-ethyl-8-piperidin-1-yl-5,10-dihydro-1,4-diazecine
PubChem CID139420142
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name(6Z,8E)-6-ethyl-8-piperidin-1-yl-5,10-dihydro-1,4-diazecine
SMILESCC/C1=C/C(N2CCCCC2)=C\C/N=C\C=N/C1
InChIInChI=1S/C15H23N3/c1-2-14-12-15(18-10-4-3-5-11-18)6-7-16-8-9-17-13-14/h6,8-9,12H,2-5,7,10-11,13H2,1H3/b14-12-,15-6+,16-8-,17-9-
InChIKeyABLPKQHGOINFPF-PJROENFPSA-N
XLogP2.85
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (6Z,8E)-6-ethyl-8-piperidin-1-yl-5,10-dihydro-1,4-diazecine with MolForge

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Related Compounds

5-(4-ethylpiperidin-1-yl)-3H-azepine
CID 123269294
N-[1-(1-ethylpiperidin-4-ylidene)propyl]ethanimine
CID 123416110
2-(2-Butan-2-ylidenepiperidin-3-ylidene)ethylidene-dimethylazanium
CID 123426179
4-Piperidin-1-yl-2,5-dihydropyridine
CID 129208888
1-prop-1-en-2-yl-4-(2H-pyrrol-3-yl)piperidine
CID 130217430
(E)-N-methyl-3-piperidin-1-ylpent-2-en-1-imine
CID 142061223
(2E)-3-(4-ethenylidenepiperidin-1-yl)-N-methylpenta-2,4-dien-1-imine
CID 142084236
ethane;N-[5-ethenyl-2-methyl-7-(1-methylpiperidin-4-ylidene)-6-[(Z)-prop-1-enyl]cyclohepta-1,5-dien-1-yl]prop-2-en-1-imine
CID 142087461
ethane;methane;5-piperidin-1-yl-3H-azepine
CID 143115625
ethane;(2E)-N-methyl-2-(1-methyl-3-methylidenepiperidin-2-ylidene)ethanimine
CID 143610086
(E)-N-ethenyl-3-[(3E)-1-ethyl-4-methylidene-3-prop-2-enylidenepiperidin-2-yl]prop-2-en-1-imine
CID 143866486
N-[(1E)-1-(1-methyl-3-methylidene-5-pent-1-en-2-ylpyrrol-2-ylidene)ethyl]ethanimine
CID 156158713

Frequently Asked Questions

What is the IUPAC name of (6Z,8E)-6-ethyl-8-piperidin-1-yl-5,10-dihydro-1,4-diazecine?
The IUPAC name of (6Z,8E)-6-ethyl-8-piperidin-1-yl-5,10-dihydro-1,4-diazecine (CID 139420142) is (6Z,8E)-6-ethyl-8-piperidin-1-yl-5,10-dihydro-1,4-diazecine.
What is the SMILES notation for (6Z,8E)-6-ethyl-8-piperidin-1-yl-5,10-dihydro-1,4-diazecine?
The canonical SMILES for (6Z,8E)-6-ethyl-8-piperidin-1-yl-5,10-dihydro-1,4-diazecine is CC/C1=C/C(N2CCCCC2)=C\C/N=C\C=N/C1.
What is the InChIKey of (6Z,8E)-6-ethyl-8-piperidin-1-yl-5,10-dihydro-1,4-diazecine?
The InChIKey is ABLPKQHGOINFPF-PJROENFPSA-N. The full InChI is InChI=1S/C15H23N3/c1-2-14-12-15(18-10-4-3-5-11-18)6-7-16-8-9-17-13-14/h6,8-9,12H,2-5,7,10-11,13H2,1H3/b14-12-,15-6+,16-8-,17-9-.
What are the key properties of (6Z,8E)-6-ethyl-8-piperidin-1-yl-5,10-dihydro-1,4-diazecine?
(6Z,8E)-6-ethyl-8-piperidin-1-yl-5,10-dihydro-1,4-diazecine has a molecular weight of 245.37 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,8E)-6-ethyl-8-piperidin-1-yl-5,10-dihydro-1,4-diazecine is sourced from PubChem (CID 139420142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).