[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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Related Compounds

2-[(4-chloro-2-fluorophenoxy)methyl]-6-(3-methylpiperidin-4-yl)oxypyridine
CID 170938654
pyridin-2-yl piperidine-4-carboxylate;hydrochloride
CID 174342486
2-[(4-chloro-2-fluorophenoxy)methyl]-3-methyl-6-piperidin-4-yloxypyridine
CID 171572934
(6-chloro-2-pyridinyl) cyclobutanecarboxylate
CID 174618359
2-(4-chloro-2-fluorophenyl)-1-piperidin-4-ylethanone
CID 114863179
2-[(4-chloro-2-fluorophenoxy)methyl]-N-piperidin-4-ylpyrimidin-4-amine
CID 164602374
2-[[4-[[6-[(4-chloro-2-fluorophenoxy)methyl]-2-pyridinyl]oxy]piperidin-1-yl]methyl]-7-fluoro-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid
CID 167494327
4-(4-chloro-2-fluorophenoxy)piperidine;hydrochloride
CID 46735703
3-fluoro-4-[(6-methoxy-2-pyridinyl)methoxy]benzenesulfonamide
CID 82913722
(E)-3-[2-[[4-[[6-[(4-chloro-2-fluorophenoxy)methyl]-2-pyridinyl]oxy]piperidin-1-yl]methyl]-7-fluoro-3-[[(2S)-oxetan-2-yl]methyl]benzimidazol-5-yl]prop-2-enoic acid
CID 170938437
4-[(4-chloro-2-fluorophenoxy)methyl]-1,3-thiazole-2-carboxylic acid
CID 114267798
2-[[4-[[6-[(4-chloro-2-fluorophenoxy)methyl]-2-pyridinyl]oxy]-2-fluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid
CID 166496919

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).