[6-[(4-chloro-2-fluorophenoxy)methyl]-2-pyridinyl] piperidine-4-carboxylate

C18H18ClFN2O3 — CID 167494457

IUPAC[6-[(4-chloro-2-fluorophenoxy)methyl]-2-pyridinyl] piperidine-4-carboxylate
SMILESO=C(Oc1cccc(COc2ccc(Cl)cc2F)n1)C1CCNCC1
InChIInChI=1S/C18H18ClFN2O3/c19-13-4-5-16(15(20)10-13)24-11-14-2-1-3-17(22-14)25-18(23)12-6-8-21-9-7-12/h1-5,10,12,21H,6-9,11H2
InChIKeySFAOJAWTBRVEPY-UHFFFAOYSA-N
MW364.80 g/mol
LogP3.36
Rot. Bonds5

About [6-[(4-chloro-2-fluorophenoxy)methyl]-2-pyridinyl] piperidine-4-carboxylate

[6-[(4-chloro-2-fluorophenoxy)methyl]-2-pyridinyl] piperidine-4-carboxylate (PubChem CID 167494457) has the molecular formula C18H18ClFN2O3 and a molecular weight of 364.80 g/mol. Its IUPAC name is [6-[(4-chloro-2-fluorophenoxy)methyl]-2-pyridinyl] piperidine-4-carboxylate.

Molecular Properties

Compound Name[6-[(4-chloro-2-fluorophenoxy)methyl]-2-pyridinyl] piperidine-4-carboxylate
PubChem CID167494457
Molecular FormulaC18H18ClFN2O3
Molecular Weight364.80 g/mol
Exact Mass364.10
IUPAC Name[6-[(4-chloro-2-fluorophenoxy)methyl]-2-pyridinyl] piperidine-4-carboxylate
SMILESO=C(Oc1cccc(COc2ccc(Cl)cc2F)n1)C1CCNCC1
InChIInChI=1S/C18H18ClFN2O3/c19-13-4-5-16(15(20)10-13)24-11-14-2-1-3-17(22-14)25-18(23)12-6-8-21-9-7-12/h1-5,10,12,21H,6-9,11H2
InChIKeySFAOJAWTBRVEPY-UHFFFAOYSA-N
XLogP3.36
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.80
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-[(4-chloro-2-fluorophenoxy)methyl]-2-pyridinyl] piperidine-4-carboxylate?
The IUPAC name of [6-[(4-chloro-2-fluorophenoxy)methyl]-2-pyridinyl] piperidine-4-carboxylate (CID 167494457) is [6-[(4-chloro-2-fluorophenoxy)methyl]-2-pyridinyl] piperidine-4-carboxylate.
What is the SMILES notation for [6-[(4-chloro-2-fluorophenoxy)methyl]-2-pyridinyl] piperidine-4-carboxylate?
The canonical SMILES for [6-[(4-chloro-2-fluorophenoxy)methyl]-2-pyridinyl] piperidine-4-carboxylate is O=C(Oc1cccc(COc2ccc(Cl)cc2F)n1)C1CCNCC1.
What is the InChIKey of [6-[(4-chloro-2-fluorophenoxy)methyl]-2-pyridinyl] piperidine-4-carboxylate?
The InChIKey is SFAOJAWTBRVEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN2O3/c19-13-4-5-16(15(20)10-13)24-11-14-2-1-3-17(22-14)25-18(23)12-6-8-21-9-7-12/h1-5,10,12,21H,6-9,11H2.
What are the key properties of [6-[(4-chloro-2-fluorophenoxy)methyl]-2-pyridinyl] piperidine-4-carboxylate?
[6-[(4-chloro-2-fluorophenoxy)methyl]-2-pyridinyl] piperidine-4-carboxylate has a molecular weight of 364.80 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(4-chloro-2-fluorophenoxy)methyl]-2-pyridinyl] piperidine-4-carboxylate is sourced from PubChem (CID 167494457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).