ethyl 4-(4,5-diamino-2H-pyridin-1-yl)piperidine-1-carboxylate

C13H22N4O2 — CID 70202505

IUPACethyl 4-(4,5-diamino-2H-pyridin-1-yl)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N2C=C(N)C(N)=CC2)CC1
InChIInChI=1S/C13H22N4O2/c1-2-19-13(18)16-6-3-10(4-7-16)17-8-5-11(14)12(15)9-17/h5,9-10H,2-4,6-8,14-15H2,1H3
InChIKeyRYOYLAHOLCQGFB-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.57
Rot. Bonds2

About ethyl 4-(4,5-diamino-2H-pyridin-1-yl)piperidine-1-carboxylate

ethyl 4-(4,5-diamino-2H-pyridin-1-yl)piperidine-1-carboxylate (PubChem CID 70202505) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is ethyl 4-(4,5-diamino-2H-pyridin-1-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4,5-diamino-2H-pyridin-1-yl)piperidine-1-carboxylate
PubChem CID70202505
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Nameethyl 4-(4,5-diamino-2H-pyridin-1-yl)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N2C=C(N)C(N)=CC2)CC1
InChIInChI=1S/C13H22N4O2/c1-2-19-13(18)16-6-3-10(4-7-16)17-8-5-11(14)12(15)9-17/h5,9-10H,2-4,6-8,14-15H2,1H3
InChIKeyRYOYLAHOLCQGFB-UHFFFAOYSA-N
XLogP0.57
TPSA84.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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ethyl azetidine-1-carboxylate
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ethyl 4-benzamidopiperidine-1-carboxylate
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CID 59403066

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4,5-diamino-2H-pyridin-1-yl)piperidine-1-carboxylate?
The IUPAC name of ethyl 4-(4,5-diamino-2H-pyridin-1-yl)piperidine-1-carboxylate (CID 70202505) is ethyl 4-(4,5-diamino-2H-pyridin-1-yl)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-(4,5-diamino-2H-pyridin-1-yl)piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-(4,5-diamino-2H-pyridin-1-yl)piperidine-1-carboxylate is CCOC(=O)N1CCC(N2C=C(N)C(N)=CC2)CC1.
What is the InChIKey of ethyl 4-(4,5-diamino-2H-pyridin-1-yl)piperidine-1-carboxylate?
The InChIKey is RYOYLAHOLCQGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-2-19-13(18)16-6-3-10(4-7-16)17-8-5-11(14)12(15)9-17/h5,9-10H,2-4,6-8,14-15H2,1H3.
What are the key properties of ethyl 4-(4,5-diamino-2H-pyridin-1-yl)piperidine-1-carboxylate?
ethyl 4-(4,5-diamino-2H-pyridin-1-yl)piperidine-1-carboxylate has a molecular weight of 266.34 g/mol, XLogP of 0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4,5-diamino-2H-pyridin-1-yl)piperidine-1-carboxylate is sourced from PubChem (CID 70202505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).