6-[(4-chloro-2-fluorophenyl)methyl]-3-fluoro-2-piperidin-4-yloxypyridine

C17H17ClF2N2O — CID 163253568

IUPAC6-[(4-chloro-2-fluorophenyl)methyl]-3-fluoro-2-piperidin-4-yloxypyridine
SMILESFc1cc(Cl)ccc1Cc1ccc(F)c(OC2CCNCC2)n1
InChIInChI=1S/C17H17ClF2N2O/c18-12-2-1-11(16(20)10-12)9-13-3-4-15(19)17(22-13)23-14-5-7-21-8-6-14/h1-4,10,14,21H,5-9H2
InChIKeyIAVDQGWPWXERKH-UHFFFAOYSA-N
MW338.79 g/mol
LogP3.73
Rot. Bonds4

About 6-[(4-chloro-2-fluorophenyl)methyl]-3-fluoro-2-piperidin-4-yloxypyridine

6-[(4-chloro-2-fluorophenyl)methyl]-3-fluoro-2-piperidin-4-yloxypyridine (PubChem CID 163253568) has the molecular formula C17H17ClF2N2O and a molecular weight of 338.79 g/mol. Its IUPAC name is 6-[(4-chloro-2-fluorophenyl)methyl]-3-fluoro-2-piperidin-4-yloxypyridine.

Molecular Properties

Compound Name6-[(4-chloro-2-fluorophenyl)methyl]-3-fluoro-2-piperidin-4-yloxypyridine
PubChem CID163253568
Molecular FormulaC17H17ClF2N2O
Molecular Weight338.79 g/mol
Exact Mass338.10
IUPAC Name6-[(4-chloro-2-fluorophenyl)methyl]-3-fluoro-2-piperidin-4-yloxypyridine
SMILESFc1cc(Cl)ccc1Cc1ccc(F)c(OC2CCNCC2)n1
InChIInChI=1S/C17H17ClF2N2O/c18-12-2-1-11(16(20)10-12)9-13-3-4-15(19)17(22-13)23-14-5-7-21-8-6-14/h1-4,10,14,21H,5-9H2
InChIKeyIAVDQGWPWXERKH-UHFFFAOYSA-N
XLogP3.73
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.79
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-chloro-2-fluorophenoxy)piperidine;hydrochloride
CID 46735703
4-(4-chloro-2-ethylphenoxy)piperidine
CID 22397478
2-[[4-[[6-[(4-chloro-2-fluorophenyl)methyl]-3-fluoro-2-pyridinyl]oxy]piperidin-1-yl]methyl]-3-(oxetan-2-ylmethyl)imidazo[4,5-b]pyridine-5-carboxylic acid
CID 167388701
2-(4-chloro-2-fluorophenyl)-1-piperidin-4-ylethanone
CID 114863179
9-[(4-chloro-2-fluorophenyl)methyl]-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 120843894
2-[(4-chloro-2-fluorophenoxy)methyl]-3-methyl-6-piperidin-4-yloxypyridine
CID 171572934
2-[[4-[[6-[(4-chloro-2-fluorophenyl)methyl]-3-fluoro-2-pyridinyl]oxy]piperidin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[4,5-c]pyridine
CID 167003601
3-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]-5,6,7,8-tetrahydro-1,7-naphthyridine
CID 176551263
1-(4-chloro-2-fluorophenyl)-3-piperidin-4-ylpropan-2-one
CID 114863265
1-(5-chloro-2-fluorophenyl)-4-piperidin-4-yloxybutan-2-one
CID 103052354
3-fluoro-4-[2-(6-piperidin-4-yloxy-2-pyridinyl)ethyl]benzonitrile
CID 177267703
N-[(5-chloro-2-fluorophenyl)methyl]-N-methyl-1-piperidin-4-ylmethanamine;hydrochloride
CID 120851650

Frequently Asked Questions

What is the IUPAC name of 6-[(4-chloro-2-fluorophenyl)methyl]-3-fluoro-2-piperidin-4-yloxypyridine?
The IUPAC name of 6-[(4-chloro-2-fluorophenyl)methyl]-3-fluoro-2-piperidin-4-yloxypyridine (CID 163253568) is 6-[(4-chloro-2-fluorophenyl)methyl]-3-fluoro-2-piperidin-4-yloxypyridine.
What is the SMILES notation for 6-[(4-chloro-2-fluorophenyl)methyl]-3-fluoro-2-piperidin-4-yloxypyridine?
The canonical SMILES for 6-[(4-chloro-2-fluorophenyl)methyl]-3-fluoro-2-piperidin-4-yloxypyridine is Fc1cc(Cl)ccc1Cc1ccc(F)c(OC2CCNCC2)n1.
What is the InChIKey of 6-[(4-chloro-2-fluorophenyl)methyl]-3-fluoro-2-piperidin-4-yloxypyridine?
The InChIKey is IAVDQGWPWXERKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClF2N2O/c18-12-2-1-11(16(20)10-12)9-13-3-4-15(19)17(22-13)23-14-5-7-21-8-6-14/h1-4,10,14,21H,5-9H2.
What are the key properties of 6-[(4-chloro-2-fluorophenyl)methyl]-3-fluoro-2-piperidin-4-yloxypyridine?
6-[(4-chloro-2-fluorophenyl)methyl]-3-fluoro-2-piperidin-4-yloxypyridine has a molecular weight of 338.79 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chloro-2-fluorophenyl)methyl]-3-fluoro-2-piperidin-4-yloxypyridine is sourced from PubChem (CID 163253568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).