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

C14H19ClN2O2 — CID 79255884

IUPACethyl 1-[(4-chloro-2-pyridinyl)methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(Cc2cc(Cl)ccn2)CC1
InChIInChI=1S/C14H19ClN2O2/c1-2-19-14(18)11-4-7-17(8-5-11)10-13-9-12(15)3-6-16-13/h3,6,9,11H,2,4-5,7-8,10H2,1H3
InChIKeyFMIJAJZCBLSUCJ-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.51
Rot. Bonds4

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

ethyl 1-[(4-chloro-2-pyridinyl)methyl]piperidine-4-carboxylate (PubChem CID 79255884) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is ethyl 1-[(4-chloro-2-pyridinyl)methyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(4-chloro-2-pyridinyl)methyl]piperidine-4-carboxylate
PubChem CID79255884
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Nameethyl 1-[(4-chloro-2-pyridinyl)methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(Cc2cc(Cl)ccn2)CC1
InChIInChI=1S/C14H19ClN2O2/c1-2-19-14(18)11-4-7-17(8-5-11)10-13-9-12(15)3-6-16-13/h3,6,9,11H,2,4-5,7-8,10H2,1H3
InChIKeyFMIJAJZCBLSUCJ-UHFFFAOYSA-N
XLogP2.51
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-[[4-(ethylamino)-2-pyridinyl]methyl]piperidine-4-carboxylate
CID 79245074
ethyl 1-(4-chloropyridine-2-carbonyl)piperidine-4-carboxylate
CID 43216980
ethyl 1-[(3-chlorophenyl)methyl]piperidine-4-carboxylate
CID 764602
methyl 1-[(4-amino-2-pyridinyl)methyl]piperidine-4-carboxylate
CID 79245399
ethyl 1-[(7-hydroxyisoquinolin-3-yl)methyl]piperidine-4-carboxylate
CID 126757467
ethyl 1-[1-[(3-chlorophenyl)methyl]piperidine-4-carbonyl]piperidine-4-carboxylate
CID 25249218
ethyl 1-[(3-methyl-2-pyridinyl)methyl]piperidine-4-carboxylate
CID 10106780
ethyl 1-[2-(4-chloro-2-methylphenoxy)ethyl]piperidine-4-carboxylate
CID 6458009
4-chloro-2-[(4-piperidin-1-ylpiperidin-1-yl)methyl]pyridine
CID 79256164
2-[1-[(4-chloro-2-pyridinyl)methyl]piperidin-4-yl]ethanamine
CID 79254918
ethyl 1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylate
CID 21202811
ethyl 1-[(6-methoxy-2-pyridinyl)methyl]piperidine-4-carboxylate
CID 63984544

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(4-chloro-2-pyridinyl)methyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[(4-chloro-2-pyridinyl)methyl]piperidine-4-carboxylate (CID 79255884) is ethyl 1-[(4-chloro-2-pyridinyl)methyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[(4-chloro-2-pyridinyl)methyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[(4-chloro-2-pyridinyl)methyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(Cc2cc(Cl)ccn2)CC1.
What is the InChIKey of ethyl 1-[(4-chloro-2-pyridinyl)methyl]piperidine-4-carboxylate?
The InChIKey is FMIJAJZCBLSUCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-2-19-14(18)11-4-7-17(8-5-11)10-13-9-12(15)3-6-16-13/h3,6,9,11H,2,4-5,7-8,10H2,1H3.
What are the key properties of ethyl 1-[(4-chloro-2-pyridinyl)methyl]piperidine-4-carboxylate?
ethyl 1-[(4-chloro-2-pyridinyl)methyl]piperidine-4-carboxylate has a molecular weight of 282.77 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(4-chloro-2-pyridinyl)methyl]piperidine-4-carboxylate is sourced from PubChem (CID 79255884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).