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

C12H25N3 — CID 61057953

IUPAC1-(1-ethylpiperidin-4-yl)-1,4-diazepane
SMILESCCN1CCC(N2CCCNCC2)CC1
InChIInChI=1S/C12H25N3/c1-2-14-9-4-12(5-10-14)15-8-3-6-13-7-11-15/h12-13H,2-11H2,1H3
InChIKeyGCKRQIOWUMFJIF-UHFFFAOYSA-N
MW211.35 g/mol
LogP0.77
Rot. Bonds2

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

1-(1-ethylpiperidin-4-yl)-1,4-diazepane (PubChem CID 61057953) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-(1-ethylpiperidin-4-yl)-1,4-diazepane.

Molecular Properties

Compound Name1-(1-ethylpiperidin-4-yl)-1,4-diazepane
PubChem CID61057953
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC Name1-(1-ethylpiperidin-4-yl)-1,4-diazepane
SMILESCCN1CCC(N2CCCNCC2)CC1
InChIInChI=1S/C12H25N3/c1-2-14-9-4-12(5-10-14)15-8-3-6-13-7-11-15/h12-13H,2-11H2,1H3
InChIKeyGCKRQIOWUMFJIF-UHFFFAOYSA-N
XLogP0.77
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 ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpiperidin-4-yl)-1,4-diazepane?
The IUPAC name of 1-(1-ethylpiperidin-4-yl)-1,4-diazepane (CID 61057953) is 1-(1-ethylpiperidin-4-yl)-1,4-diazepane.
What is the SMILES notation for 1-(1-ethylpiperidin-4-yl)-1,4-diazepane?
The canonical SMILES for 1-(1-ethylpiperidin-4-yl)-1,4-diazepane is CCN1CCC(N2CCCNCC2)CC1.
What is the InChIKey of 1-(1-ethylpiperidin-4-yl)-1,4-diazepane?
The InChIKey is GCKRQIOWUMFJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3/c1-2-14-9-4-12(5-10-14)15-8-3-6-13-7-11-15/h12-13H,2-11H2,1H3.
What are the key properties of 1-(1-ethylpiperidin-4-yl)-1,4-diazepane?
1-(1-ethylpiperidin-4-yl)-1,4-diazepane has a molecular weight of 211.35 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpiperidin-4-yl)-1,4-diazepane is sourced from PubChem (CID 61057953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).