2-[(4-chloro-2-fluorophenyl)methoxy]-6-[1-[(5-methyl-2,3-dihydrothiophen-2-yl)methyl]piperidin-4-yl]pyridine

C23H26ClFN2OS — CID 175266588

IUPAC2-[(4-chloro-2-fluorophenyl)methoxy]-6-[1-[(5-methyl-2,3-dihydrothiophen-2-yl)methyl]piperidin-4-yl]pyridine
SMILESCC1=CCC(CN2CCC(c3cccc(OCc4ccc(Cl)cc4F)n3)CC2)S1
InChIInChI=1S/C23H26ClFN2OS/c1-16-5-8-20(29-16)14-27-11-9-17(10-12-27)22-3-2-4-23(26-22)28-15-18-6-7-19(24)13-21(18)25/h2-7,13,17,20H,8-12,14-15H2,1H3
InChIKeyOZIHZSXETOLIFY-UHFFFAOYSA-N
MW432.99 g/mol
LogP6.04
Rot. Bonds6

About 2-[(4-chloro-2-fluorophenyl)methoxy]-6-[1-[(5-methyl-2,3-dihydrothiophen-2-yl)methyl]piperidin-4-yl]pyridine

2-[(4-chloro-2-fluorophenyl)methoxy]-6-[1-[(5-methyl-2,3-dihydrothiophen-2-yl)methyl]piperidin-4-yl]pyridine (PubChem CID 175266588) has the molecular formula C23H26ClFN2OS and a molecular weight of 432.99 g/mol. Its IUPAC name is 2-[(4-chloro-2-fluorophenyl)methoxy]-6-[1-[(5-methyl-2,3-dihydrothiophen-2-yl)methyl]piperidin-4-yl]pyridine.

Molecular Properties

Compound Name2-[(4-chloro-2-fluorophenyl)methoxy]-6-[1-[(5-methyl-2,3-dihydrothiophen-2-yl)methyl]piperidin-4-yl]pyridine
PubChem CID175266588
Molecular FormulaC23H26ClFN2OS
Molecular Weight432.99 g/mol
Exact Mass432.14
IUPAC Name2-[(4-chloro-2-fluorophenyl)methoxy]-6-[1-[(5-methyl-2,3-dihydrothiophen-2-yl)methyl]piperidin-4-yl]pyridine
SMILESCC1=CCC(CN2CCC(c3cccc(OCc4ccc(Cl)cc4F)n3)CC2)S1
InChIInChI=1S/C23H26ClFN2OS/c1-16-5-8-20(29-16)14-27-11-9-17(10-12-27)22-3-2-4-23(26-22)28-15-18-6-7-19(24)13-21(18)25/h2-7,13,17,20H,8-12,14-15H2,1H3
InChIKeyOZIHZSXETOLIFY-UHFFFAOYSA-N
XLogP6.04
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.99
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-1-(2-methoxyethyl)benzimidazole
CID 175799455
N-[2-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]ethyl]-4-methyl-2-(methylideneamino)aniline
CID 169168360
(E)-3-[6-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-5-methyl-3-pyridinyl]prop-2-enoic acid
CID 168817326
2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-1-(2-methoxyethyl)-5-methylbenzimidazole
CID 169168509
3-[2-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]ethyl-(2,2-difluoropropyl)amino]-4-methylbenzoic acid
CID 177190219
5-[3-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]prop-1-en-2-yl-methylamino]-2,6-dimethylpyridine-3-carboxylic acid
CID 177190077
(E)-3-[6-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-3-pyridinyl]prop-2-enoic acid
CID 163644973
2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-1-[[(2S)-oxetan-2-yl]methyl]thieno[2,3-d]imidazole-5-carboxylic acid
CID 162517472
methyl 2-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]cyclohexyl]acetate
CID 155190470
(E)-3-[2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-3-(2-methoxyethyl)imidazol-4-yl]prop-2-enoic acid
CID 168817322
N-[6-bromo-4-(methylamino)-3-pyridinyl]-2-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]acetamide
CID 140879650
N-[2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-1-(oxetan-2-ylmethyl)benzimidazol-5-yl]propanamide
CID 170427951

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-2-fluorophenyl)methoxy]-6-[1-[(5-methyl-2,3-dihydrothiophen-2-yl)methyl]piperidin-4-yl]pyridine?
The IUPAC name of 2-[(4-chloro-2-fluorophenyl)methoxy]-6-[1-[(5-methyl-2,3-dihydrothiophen-2-yl)methyl]piperidin-4-yl]pyridine (CID 175266588) is 2-[(4-chloro-2-fluorophenyl)methoxy]-6-[1-[(5-methyl-2,3-dihydrothiophen-2-yl)methyl]piperidin-4-yl]pyridine.
What is the SMILES notation for 2-[(4-chloro-2-fluorophenyl)methoxy]-6-[1-[(5-methyl-2,3-dihydrothiophen-2-yl)methyl]piperidin-4-yl]pyridine?
The canonical SMILES for 2-[(4-chloro-2-fluorophenyl)methoxy]-6-[1-[(5-methyl-2,3-dihydrothiophen-2-yl)methyl]piperidin-4-yl]pyridine is CC1=CCC(CN2CCC(c3cccc(OCc4ccc(Cl)cc4F)n3)CC2)S1.
What is the InChIKey of 2-[(4-chloro-2-fluorophenyl)methoxy]-6-[1-[(5-methyl-2,3-dihydrothiophen-2-yl)methyl]piperidin-4-yl]pyridine?
The InChIKey is OZIHZSXETOLIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClFN2OS/c1-16-5-8-20(29-16)14-27-11-9-17(10-12-27)22-3-2-4-23(26-22)28-15-18-6-7-19(24)13-21(18)25/h2-7,13,17,20H,8-12,14-15H2,1H3.
What are the key properties of 2-[(4-chloro-2-fluorophenyl)methoxy]-6-[1-[(5-methyl-2,3-dihydrothiophen-2-yl)methyl]piperidin-4-yl]pyridine?
2-[(4-chloro-2-fluorophenyl)methoxy]-6-[1-[(5-methyl-2,3-dihydrothiophen-2-yl)methyl]piperidin-4-yl]pyridine has a molecular weight of 432.99 g/mol, XLogP of 6.04, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-2-fluorophenyl)methoxy]-6-[1-[(5-methyl-2,3-dihydrothiophen-2-yl)methyl]piperidin-4-yl]pyridine is sourced from PubChem (CID 175266588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).