[1-(2-amino-3-pyridinyl)-4-ethylpiperidin-4-yl] carbamate

C13H20N4O2 — CID 175116323

IUPAC[1-(2-amino-3-pyridinyl)-4-ethylpiperidin-4-yl] carbamate
SMILESCCC1(OC(N)=O)CCN(c2cccnc2N)CC1
InChIInChI=1S/C13H20N4O2/c1-2-13(19-12(15)18)5-8-17(9-6-13)10-4-3-7-16-11(10)14/h3-4,7H,2,5-6,8-9H2,1H3,(H2,14,16)(H2,15,18)
InChIKeyKRZGEBVRJOFJBW-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.51
Rot. Bonds3

About [1-(2-amino-3-pyridinyl)-4-ethylpiperidin-4-yl] carbamate

[1-(2-amino-3-pyridinyl)-4-ethylpiperidin-4-yl] carbamate (PubChem CID 175116323) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is [1-(2-amino-3-pyridinyl)-4-ethylpiperidin-4-yl] carbamate.

Molecular Properties

Compound Name[1-(2-amino-3-pyridinyl)-4-ethylpiperidin-4-yl] carbamate
PubChem CID175116323
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name[1-(2-amino-3-pyridinyl)-4-ethylpiperidin-4-yl] carbamate
SMILESCCC1(OC(N)=O)CCN(c2cccnc2N)CC1
InChIInChI=1S/C13H20N4O2/c1-2-13(19-12(15)18)5-8-17(9-6-13)10-4-3-7-16-11(10)14/h3-4,7H,2,5-6,8-9H2,1H3,(H2,14,16)(H2,15,18)
InChIKeyKRZGEBVRJOFJBW-UHFFFAOYSA-N
XLogP1.51
TPSA94.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(2-amino-3-pyridinyl)-4-ethylpiperidin-4-yl] carbamate?
The IUPAC name of [1-(2-amino-3-pyridinyl)-4-ethylpiperidin-4-yl] carbamate (CID 175116323) is [1-(2-amino-3-pyridinyl)-4-ethylpiperidin-4-yl] carbamate.
What is the SMILES notation for [1-(2-amino-3-pyridinyl)-4-ethylpiperidin-4-yl] carbamate?
The canonical SMILES for [1-(2-amino-3-pyridinyl)-4-ethylpiperidin-4-yl] carbamate is CCC1(OC(N)=O)CCN(c2cccnc2N)CC1.
What is the InChIKey of [1-(2-amino-3-pyridinyl)-4-ethylpiperidin-4-yl] carbamate?
The InChIKey is KRZGEBVRJOFJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-2-13(19-12(15)18)5-8-17(9-6-13)10-4-3-7-16-11(10)14/h3-4,7H,2,5-6,8-9H2,1H3,(H2,14,16)(H2,15,18).
What are the key properties of [1-(2-amino-3-pyridinyl)-4-ethylpiperidin-4-yl] carbamate?
[1-(2-amino-3-pyridinyl)-4-ethylpiperidin-4-yl] carbamate has a molecular weight of 264.33 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-amino-3-pyridinyl)-4-ethylpiperidin-4-yl] carbamate is sourced from PubChem (CID 175116323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).