ethyl 1-(pyridin-4-ylmethyl)piperidine-2-carboxylate

C14H20N2O2 — CID 10444708

IUPACethyl 1-(pyridin-4-ylmethyl)piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1Cc1ccncc1
InChIInChI=1S/C14H20N2O2/c1-2-18-14(17)13-5-3-4-10-16(13)11-12-6-8-15-9-7-12/h6-9,13H,2-5,10-11H2,1H3
InChIKeyCIPAKIKEVIKGBI-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.00
Rot. Bonds4

About ethyl 1-(pyridin-4-ylmethyl)piperidine-2-carboxylate

ethyl 1-(pyridin-4-ylmethyl)piperidine-2-carboxylate (PubChem CID 10444708) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is ethyl 1-(pyridin-4-ylmethyl)piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(pyridin-4-ylmethyl)piperidine-2-carboxylate
PubChem CID10444708
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Nameethyl 1-(pyridin-4-ylmethyl)piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1Cc1ccncc1
InChIInChI=1S/C14H20N2O2/c1-2-18-14(17)13-5-3-4-10-16(13)11-12-6-8-15-9-7-12/h6-9,13H,2-5,10-11H2,1H3
InChIKeyCIPAKIKEVIKGBI-UHFFFAOYSA-N
XLogP2.00
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(pyridin-4-ylmethyl)piperidine-2-carboxylate?
The IUPAC name of ethyl 1-(pyridin-4-ylmethyl)piperidine-2-carboxylate (CID 10444708) is ethyl 1-(pyridin-4-ylmethyl)piperidine-2-carboxylate.
What is the SMILES notation for ethyl 1-(pyridin-4-ylmethyl)piperidine-2-carboxylate?
The canonical SMILES for ethyl 1-(pyridin-4-ylmethyl)piperidine-2-carboxylate is CCOC(=O)C1CCCCN1Cc1ccncc1.
What is the InChIKey of ethyl 1-(pyridin-4-ylmethyl)piperidine-2-carboxylate?
The InChIKey is CIPAKIKEVIKGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-2-18-14(17)13-5-3-4-10-16(13)11-12-6-8-15-9-7-12/h6-9,13H,2-5,10-11H2,1H3.
What are the key properties of ethyl 1-(pyridin-4-ylmethyl)piperidine-2-carboxylate?
ethyl 1-(pyridin-4-ylmethyl)piperidine-2-carboxylate has a molecular weight of 248.33 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(pyridin-4-ylmethyl)piperidine-2-carboxylate is sourced from PubChem (CID 10444708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).