3-(1-ethylpiperidin-4-yl)-8-methyl-3,8-diazabicyclo[3.2.1]octane

C14H27N3 — CID 70996950

IUPAC3-(1-ethylpiperidin-4-yl)-8-methyl-3,8-diazabicyclo[3.2.1]octane
SMILESCCN1CCC(N2CC3CCC(C2)N3C)CC1
InChIInChI=1S/C14H27N3/c1-3-16-8-6-12(7-9-16)17-10-13-4-5-14(11-17)15(13)2/h12-14H,3-11H2,1-2H3
InChIKeyUMOXMRAQPZDRPM-UHFFFAOYSA-N
MW237.39 g/mol
LogP1.25
Rot. Bonds2

About 3-(1-ethylpiperidin-4-yl)-8-methyl-3,8-diazabicyclo[3.2.1]octane

3-(1-ethylpiperidin-4-yl)-8-methyl-3,8-diazabicyclo[3.2.1]octane (PubChem CID 70996950) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 3-(1-ethylpiperidin-4-yl)-8-methyl-3,8-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-(1-ethylpiperidin-4-yl)-8-methyl-3,8-diazabicyclo[3.2.1]octane
PubChem CID70996950
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name3-(1-ethylpiperidin-4-yl)-8-methyl-3,8-diazabicyclo[3.2.1]octane
SMILESCCN1CCC(N2CC3CCC(C2)N3C)CC1
InChIInChI=1S/C14H27N3/c1-3-16-8-6-12(7-9-16)17-10-13-4-5-14(11-17)15(13)2/h12-14H,3-11H2,1-2H3
InChIKeyUMOXMRAQPZDRPM-UHFFFAOYSA-N
XLogP1.25
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylpiperidin-4-yl)-8-methyl-3,8-diazabicyclo[3.2.1]octane?
The IUPAC name of 3-(1-ethylpiperidin-4-yl)-8-methyl-3,8-diazabicyclo[3.2.1]octane (CID 70996950) is 3-(1-ethylpiperidin-4-yl)-8-methyl-3,8-diazabicyclo[3.2.1]octane.
What is the SMILES notation for 3-(1-ethylpiperidin-4-yl)-8-methyl-3,8-diazabicyclo[3.2.1]octane?
The canonical SMILES for 3-(1-ethylpiperidin-4-yl)-8-methyl-3,8-diazabicyclo[3.2.1]octane is CCN1CCC(N2CC3CCC(C2)N3C)CC1.
What is the InChIKey of 3-(1-ethylpiperidin-4-yl)-8-methyl-3,8-diazabicyclo[3.2.1]octane?
The InChIKey is UMOXMRAQPZDRPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-3-16-8-6-12(7-9-16)17-10-13-4-5-14(11-17)15(13)2/h12-14H,3-11H2,1-2H3.
What are the key properties of 3-(1-ethylpiperidin-4-yl)-8-methyl-3,8-diazabicyclo[3.2.1]octane?
3-(1-ethylpiperidin-4-yl)-8-methyl-3,8-diazabicyclo[3.2.1]octane has a molecular weight of 237.39 g/mol, XLogP of 1.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylpiperidin-4-yl)-8-methyl-3,8-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 70996950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).