3-chloro-4-[[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]methoxy]pyridine

C18H20ClFN2O3S — CID 155801188

IUPAC3-chloro-4-[[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]methoxy]pyridine
SMILESO=S(=O)(Cc1ccc(F)cc1)N1CCC(COc2ccncc2Cl)CC1
InChIInChI=1S/C18H20ClFN2O3S/c19-17-11-21-8-5-18(17)25-12-14-6-9-22(10-7-14)26(23,24)13-15-1-3-16(20)4-2-15/h1-5,8,11,14H,6-7,9-10,12-13H2
InChIKeyKZUHWZVOVWNAPR-UHFFFAOYSA-N
MW398.89 g/mol
LogP3.49
Rot. Bonds6

About 3-chloro-4-[[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]methoxy]pyridine

3-chloro-4-[[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]methoxy]pyridine (PubChem CID 155801188) has the molecular formula C18H20ClFN2O3S and a molecular weight of 398.89 g/mol. Its IUPAC name is 3-chloro-4-[[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]methoxy]pyridine.

Molecular Properties

Compound Name3-chloro-4-[[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]methoxy]pyridine
PubChem CID155801188
Molecular FormulaC18H20ClFN2O3S
Molecular Weight398.89 g/mol
Exact Mass398.09
IUPAC Name3-chloro-4-[[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]methoxy]pyridine
SMILESO=S(=O)(Cc1ccc(F)cc1)N1CCC(COc2ccncc2Cl)CC1
InChIInChI=1S/C18H20ClFN2O3S/c19-17-11-21-8-5-18(17)25-12-14-6-9-22(10-7-14)26(23,24)13-15-1-3-16(20)4-2-15/h1-5,8,11,14H,6-7,9-10,12-13H2
InChIKeyKZUHWZVOVWNAPR-UHFFFAOYSA-N
XLogP3.49
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.89
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-fluorophenyl)methylsulfonyl]-4-(methoxymethyl)piperidine
CID 71782918
5-chloro-2-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-3-fluoropyridine
CID 154829675
4-[(2-fluorophenoxy)methyl]-1-[(4-methylphenyl)methylsulfonyl]piperidine
CID 110411627
4-[[1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidin-4-yl]methoxy]-3-methylpyridine
CID 155801194
3-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]oxypyridine
CID 90566210
1-[(4-fluorophenyl)methylsulfonyl]-4-(imidazol-1-ylmethyl)piperidine
CID 90493928
3-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]pyridine-4-carbonitrile
CID 154829519
2-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]oxypyrimidine
CID 90558927
1-[(4-fluorophenyl)methylsulfonyl]-4-[(2-methylimidazol-1-yl)methyl]piperidine
CID 71781160
3-chloro-4-[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]pyridine
CID 155800170
2-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-N-methylacetamide
CID 163357267
1-benzylsulfonyl-4-[(4-chlorophenoxy)methyl]piperidine
CID 110639138

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]methoxy]pyridine?
The IUPAC name of 3-chloro-4-[[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]methoxy]pyridine (CID 155801188) is 3-chloro-4-[[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]methoxy]pyridine.
What is the SMILES notation for 3-chloro-4-[[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]methoxy]pyridine?
The canonical SMILES for 3-chloro-4-[[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]methoxy]pyridine is O=S(=O)(Cc1ccc(F)cc1)N1CCC(COc2ccncc2Cl)CC1.
What is the InChIKey of 3-chloro-4-[[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]methoxy]pyridine?
The InChIKey is KZUHWZVOVWNAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClFN2O3S/c19-17-11-21-8-5-18(17)25-12-14-6-9-22(10-7-14)26(23,24)13-15-1-3-16(20)4-2-15/h1-5,8,11,14H,6-7,9-10,12-13H2.
What are the key properties of 3-chloro-4-[[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]methoxy]pyridine?
3-chloro-4-[[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]methoxy]pyridine has a molecular weight of 398.89 g/mol, XLogP of 3.49, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]methoxy]pyridine is sourced from PubChem (CID 155801188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).