[2-(4-ethyl-4-methylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methanamine

C17H27N3 — CID 63156144

IUPAC[2-(4-ethyl-4-methylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methanamine
SMILESCCC1(C)CCN(c2nc3c(cc2CN)CCC3)CC1
InChIInChI=1S/C17H27N3/c1-3-17(2)7-9-20(10-8-17)16-14(12-18)11-13-5-4-6-15(13)19-16/h11H,3-10,12,18H2,1-2H3
InChIKeyQSBYJPTZEAYCPY-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.05
Rot. Bonds3

About [2-(4-ethyl-4-methylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methanamine

[2-(4-ethyl-4-methylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methanamine (PubChem CID 63156144) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is [2-(4-ethyl-4-methylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methanamine.

Molecular Properties

Compound Name[2-(4-ethyl-4-methylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methanamine
PubChem CID63156144
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name[2-(4-ethyl-4-methylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methanamine
SMILESCCC1(C)CCN(c2nc3c(cc2CN)CCC3)CC1
InChIInChI=1S/C17H27N3/c1-3-17(2)7-9-20(10-8-17)16-14(12-18)11-13-5-4-6-15(13)19-16/h11H,3-10,12,18H2,1-2H3
InChIKeyQSBYJPTZEAYCPY-UHFFFAOYSA-N
XLogP3.05
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(4-ethyl-4-methylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methanamine?
The IUPAC name of [2-(4-ethyl-4-methylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methanamine (CID 63156144) is [2-(4-ethyl-4-methylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methanamine.
What is the SMILES notation for [2-(4-ethyl-4-methylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methanamine?
The canonical SMILES for [2-(4-ethyl-4-methylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methanamine is CCC1(C)CCN(c2nc3c(cc2CN)CCC3)CC1.
What is the InChIKey of [2-(4-ethyl-4-methylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methanamine?
The InChIKey is QSBYJPTZEAYCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-3-17(2)7-9-20(10-8-17)16-14(12-18)11-13-5-4-6-15(13)19-16/h11H,3-10,12,18H2,1-2H3.
What are the key properties of [2-(4-ethyl-4-methylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methanamine?
[2-(4-ethyl-4-methylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methanamine has a molecular weight of 273.42 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethyl-4-methylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methanamine is sourced from PubChem (CID 63156144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).