ethyl 4-[(3-chloro-2-pyridinyl)oxy]piperidine-1-carboxylate

C13H17ClN2O3 — CID 71798852

IUPACethyl 4-[(3-chloro-2-pyridinyl)oxy]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Oc2ncccc2Cl)CC1
InChIInChI=1S/C13H17ClN2O3/c1-2-18-13(17)16-8-5-10(6-9-16)19-12-11(14)4-3-7-15-12/h3-4,7,10H,2,5-6,8-9H2,1H3
InChIKeySVJQSVQHHNLPSA-UHFFFAOYSA-N
MW284.74 g/mol
LogP2.73
Rot. Bonds3

About ethyl 4-[(3-chloro-2-pyridinyl)oxy]piperidine-1-carboxylate

ethyl 4-[(3-chloro-2-pyridinyl)oxy]piperidine-1-carboxylate (PubChem CID 71798852) has the molecular formula C13H17ClN2O3 and a molecular weight of 284.74 g/mol. Its IUPAC name is ethyl 4-[(3-chloro-2-pyridinyl)oxy]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(3-chloro-2-pyridinyl)oxy]piperidine-1-carboxylate
PubChem CID71798852
Molecular FormulaC13H17ClN2O3
Molecular Weight284.74 g/mol
Exact Mass284.09
IUPAC Nameethyl 4-[(3-chloro-2-pyridinyl)oxy]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Oc2ncccc2Cl)CC1
InChIInChI=1S/C13H17ClN2O3/c1-2-18-13(17)16-8-5-10(6-9-16)19-12-11(14)4-3-7-15-12/h3-4,7,10H,2,5-6,8-9H2,1H3
InChIKeySVJQSVQHHNLPSA-UHFFFAOYSA-N
XLogP2.73
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(3-chloro-2-pyridinyl)oxy]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(3-chloro-2-pyridinyl)oxy]piperidine-1-carboxylate (CID 71798852) is ethyl 4-[(3-chloro-2-pyridinyl)oxy]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(3-chloro-2-pyridinyl)oxy]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(3-chloro-2-pyridinyl)oxy]piperidine-1-carboxylate is CCOC(=O)N1CCC(Oc2ncccc2Cl)CC1.
What is the InChIKey of ethyl 4-[(3-chloro-2-pyridinyl)oxy]piperidine-1-carboxylate?
The InChIKey is SVJQSVQHHNLPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3/c1-2-18-13(17)16-8-5-10(6-9-16)19-12-11(14)4-3-7-15-12/h3-4,7,10H,2,5-6,8-9H2,1H3.
What are the key properties of ethyl 4-[(3-chloro-2-pyridinyl)oxy]piperidine-1-carboxylate?
ethyl 4-[(3-chloro-2-pyridinyl)oxy]piperidine-1-carboxylate has a molecular weight of 284.74 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(3-chloro-2-pyridinyl)oxy]piperidine-1-carboxylate is sourced from PubChem (CID 71798852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).