1-(1-ethylpiperidin-2-yl)-1,4-diazepane

C12H25N3 — CID 115100694

IUPAC1-(1-ethylpiperidin-2-yl)-1,4-diazepane
SMILESCCN1CCCCC1N1CCCNCC1
InChIInChI=1S/C12H25N3/c1-2-14-9-4-3-6-12(14)15-10-5-7-13-8-11-15/h12-13H,2-11H2,1H3
InChIKeyLFBNMZBLQTYXRJ-UHFFFAOYSA-N
MW211.35 g/mol
LogP1.11
Rot. Bonds2

About 1-(1-ethylpiperidin-2-yl)-1,4-diazepane

1-(1-ethylpiperidin-2-yl)-1,4-diazepane (PubChem CID 115100694) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-(1-ethylpiperidin-2-yl)-1,4-diazepane.

Molecular Properties

Compound Name1-(1-ethylpiperidin-2-yl)-1,4-diazepane
PubChem CID115100694
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC Name1-(1-ethylpiperidin-2-yl)-1,4-diazepane
SMILESCCN1CCCCC1N1CCCNCC1
InChIInChI=1S/C12H25N3/c1-2-14-9-4-3-6-12(14)15-10-5-7-13-8-11-15/h12-13H,2-11H2,1H3
InChIKeyLFBNMZBLQTYXRJ-UHFFFAOYSA-N
XLogP1.11
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2-pyrrolidin-1-ylpyrrolidin-1-yl)pyrrolidin-2-yl]piperazine
CID 175882463
1-ethyl-2-piperidin-4-ylazepane
CID 64852207
[(2R)-2-piperidin-1-ylpiperidin-1-yl]methanol
CID 67198685
1-piperidin-4-yl-1,4-diazepane
CID 53414008
(2S)-1-ethyl-2-methyl-1,4-diazepane
CID 92784931
(1-ethyl-1,4-diazepan-2-yl)methanol
CID 82240889
1-(2-methylpropyl)-3,4,6,7,8,9,10,10a-octahydro-2H-pyrimido[1,2-a]azepine
CID 126695178
1-(3-ethyl-2-methylcyclopentyl)-1,4-diazepane
CID 64916660
1-(1,5-diazocan-1-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 54977827
trans-(1R,2R)-2-(1,4-diazepan-1-yl)cyclohexan-1-ol
CID 93346121
1-cyclopentylpiperazine;ethane
CID 143559542
1-(3,4,6,7,8,9,10,10a-octahydro-2H-pyrimido[1,2-a]azepin-1-yl)-2-methylpropane-2-thiol
CID 126695151

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpiperidin-2-yl)-1,4-diazepane?
The IUPAC name of 1-(1-ethylpiperidin-2-yl)-1,4-diazepane (CID 115100694) is 1-(1-ethylpiperidin-2-yl)-1,4-diazepane.
What is the SMILES notation for 1-(1-ethylpiperidin-2-yl)-1,4-diazepane?
The canonical SMILES for 1-(1-ethylpiperidin-2-yl)-1,4-diazepane is CCN1CCCCC1N1CCCNCC1.
What is the InChIKey of 1-(1-ethylpiperidin-2-yl)-1,4-diazepane?
The InChIKey is LFBNMZBLQTYXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3/c1-2-14-9-4-3-6-12(14)15-10-5-7-13-8-11-15/h12-13H,2-11H2,1H3.
What are the key properties of 1-(1-ethylpiperidin-2-yl)-1,4-diazepane?
1-(1-ethylpiperidin-2-yl)-1,4-diazepane has a molecular weight of 211.35 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpiperidin-2-yl)-1,4-diazepane is sourced from PubChem (CID 115100694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).