4-[2-[4-(2-methoxyphenyl)sulfonylpiperidin-1-yl]ethyl]pyridine;dihydrochloride

C19H26Cl2N2O3S — CID 141036953

IUPAC4-[2-[4-(2-methoxyphenyl)sulfonylpiperidin-1-yl]ethyl]pyridine;dihydrochloride
SMILESCOc1ccccc1S(=O)(=O)C1CCN(CCc2ccncc2)CC1.Cl.Cl
InChIInChI=1S/C19H24N2O3S.2ClH/c1-24-18-4-2-3-5-19(18)25(22,23)17-9-14-21(15-10-17)13-8-16-6-11-20-12-7-16;;/h2-7,11-12,17H,8-10,13-15H2,1H3;2*1H
InChIKeyXLUKKKAHJAYXID-UHFFFAOYSA-N
MW433.40 g/mol
LogP3.41
Rot. Bonds6

About 4-[2-[4-(2-methoxyphenyl)sulfonylpiperidin-1-yl]ethyl]pyridine;dihydrochloride

4-[2-[4-(2-methoxyphenyl)sulfonylpiperidin-1-yl]ethyl]pyridine;dihydrochloride (PubChem CID 141036953) has the molecular formula C19H26Cl2N2O3S and a molecular weight of 433.40 g/mol. Its IUPAC name is 4-[2-[4-(2-methoxyphenyl)sulfonylpiperidin-1-yl]ethyl]pyridine;dihydrochloride.

Molecular Properties

Compound Name4-[2-[4-(2-methoxyphenyl)sulfonylpiperidin-1-yl]ethyl]pyridine;dihydrochloride
PubChem CID141036953
Molecular FormulaC19H26Cl2N2O3S
Molecular Weight433.40 g/mol
Exact Mass432.10
IUPAC Name4-[2-[4-(2-methoxyphenyl)sulfonylpiperidin-1-yl]ethyl]pyridine;dihydrochloride
SMILESCOc1ccccc1S(=O)(=O)C1CCN(CCc2ccncc2)CC1.Cl.Cl
InChIInChI=1S/C19H24N2O3S.2ClH/c1-24-18-4-2-3-5-19(18)25(22,23)17-9-14-21(15-10-17)13-8-16-6-11-20-12-7-16;;/h2-7,11-12,17H,8-10,13-15H2,1H3;2*1H
InChIKeyXLUKKKAHJAYXID-UHFFFAOYSA-N
XLogP3.41
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.40
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-chlorophenyl)sulfonyl-1-[2-(4-fluorophenyl)ethyl]piperidine;hydrochloride
CID 141037067
2-ethyl-3-[4-(2-methoxyphenyl)sulfonylpiperidin-1-yl]pyridine
CID 91229627
1-(2-pyridin-4-ylethyl)piperidin-4-ol
CID 60648084
1-[1-(2-phenylethyl)piperidin-4-yl]-4-pyridin-4-ylpiperazine;hydrochloride
CID 68753959
1-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-thiophen-2-ylphenyl)sulfonylpiperidine
CID 24730901
1-[2-(2-methoxyphenyl)ethyl]-4-(2-phenylethyl)piperazine;dihydrochloride
CID 155541951
4-[2-[(3R)-3-(4-methoxyphenyl)pyrrolidin-1-yl]ethyl]pyridine
CID 124591492
2-methoxy-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzenesulfonamide
CID 121108144
methyl 2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]sulfonylbenzoate
CID 24731908
tert-butyl N-(2-methoxyphenyl)-N-[2-oxo-2-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]ethyl]carbamate
CID 22321603
2-[1-[2-(2,4-difluorophenyl)ethyl]piperidin-4-yl]sulfonylphenol;hydrochloride
CID 141037088
1-[2-(4-fluorophenyl)ethyl]-4-(2-methoxyphenyl)sulfanylpiperidine;hydrochloride
CID 141037033

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(2-methoxyphenyl)sulfonylpiperidin-1-yl]ethyl]pyridine;dihydrochloride?
The IUPAC name of 4-[2-[4-(2-methoxyphenyl)sulfonylpiperidin-1-yl]ethyl]pyridine;dihydrochloride (CID 141036953) is 4-[2-[4-(2-methoxyphenyl)sulfonylpiperidin-1-yl]ethyl]pyridine;dihydrochloride.
What is the SMILES notation for 4-[2-[4-(2-methoxyphenyl)sulfonylpiperidin-1-yl]ethyl]pyridine;dihydrochloride?
The canonical SMILES for 4-[2-[4-(2-methoxyphenyl)sulfonylpiperidin-1-yl]ethyl]pyridine;dihydrochloride is COc1ccccc1S(=O)(=O)C1CCN(CCc2ccncc2)CC1.Cl.Cl.
What is the InChIKey of 4-[2-[4-(2-methoxyphenyl)sulfonylpiperidin-1-yl]ethyl]pyridine;dihydrochloride?
The InChIKey is XLUKKKAHJAYXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S.2ClH/c1-24-18-4-2-3-5-19(18)25(22,23)17-9-14-21(15-10-17)13-8-16-6-11-20-12-7-16;;/h2-7,11-12,17H,8-10,13-15H2,1H3;2*1H.
What are the key properties of 4-[2-[4-(2-methoxyphenyl)sulfonylpiperidin-1-yl]ethyl]pyridine;dihydrochloride?
4-[2-[4-(2-methoxyphenyl)sulfonylpiperidin-1-yl]ethyl]pyridine;dihydrochloride has a molecular weight of 433.40 g/mol, XLogP of 3.41, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(2-methoxyphenyl)sulfonylpiperidin-1-yl]ethyl]pyridine;dihydrochloride is sourced from PubChem (CID 141036953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).