5-chloro-2-[(3S)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-3-methylsulfonylpyridine

C19H23ClN2O3S — CID 92595841

IUPAC5-chloro-2-[(3S)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-3-methylsulfonylpyridine
SMILESCOc1ccc(CN2CCC[C@H](c3ncc(Cl)cc3S(C)(=O)=O)C2)cc1
InChIInChI=1S/C19H23ClN2O3S/c1-25-17-7-5-14(6-8-17)12-22-9-3-4-15(13-22)19-18(26(2,23)24)10-16(20)11-21-19/h5-8,10-11,15H,3-4,9,12-13H2,1-2H3/t15-/m0/s1
InChIKeyXLHNLPIHPNTDQE-HNNXBMFYSA-N
MW394.92 g/mol
LogP3.53
Rot. Bonds5

About 5-chloro-2-[(3S)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-3-methylsulfonylpyridine

5-chloro-2-[(3S)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-3-methylsulfonylpyridine (PubChem CID 92595841) has the molecular formula C19H23ClN2O3S and a molecular weight of 394.92 g/mol. Its IUPAC name is 5-chloro-2-[(3S)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-3-methylsulfonylpyridine.

Molecular Properties

Compound Name5-chloro-2-[(3S)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-3-methylsulfonylpyridine
PubChem CID92595841
Molecular FormulaC19H23ClN2O3S
Molecular Weight394.92 g/mol
Exact Mass394.11
IUPAC Name5-chloro-2-[(3S)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-3-methylsulfonylpyridine
SMILESCOc1ccc(CN2CCC[C@H](c3ncc(Cl)cc3S(C)(=O)=O)C2)cc1
InChIInChI=1S/C19H23ClN2O3S/c1-25-17-7-5-14(6-8-17)12-22-9-3-4-15(13-22)19-18(26(2,23)24)10-16(20)11-21-19/h5-8,10-11,15H,3-4,9,12-13H2,1-2H3/t15-/m0/s1
InChIKeyXLHNLPIHPNTDQE-HNNXBMFYSA-N
XLogP3.53
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.92
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-3-methylsulfonyl-2-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridine
CID 110234375
5-[[3-(5-chloro-3-methylsulfonyl-2-pyridinyl)piperidin-1-yl]methyl]-2-propan-2-ylpyrimidine
CID 110234393
5-chloro-3-methylsulfonyl-2-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyridine
CID 92603087
5-chloro-3-methylsulfonyl-2-[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]pyridine
CID 92603095
5-chloro-2-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]-3-methylsulfonylpyridine
CID 110245365
[3-(5-chloro-3-methylsulfonyl-2-pyridinyl)piperidin-1-yl]-cyclopropylmethanone
CID 110234282
5-chloro-2-[(3S)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-3-methylsulfonylpyridine
CID 95853872
3-methylsulfonyl-2-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridine
CID 92603225
(3R)-1-[(4-methoxyphenyl)methyl]-3-(4-methyl-1H-pyrazol-5-yl)piperidine
CID 95844793
2-(2-fluorophenyl)-3-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]pyrazine
CID 110254812
[1-[(4-methoxyphenyl)methyl]piperidin-3-yl] acetate
CID 46898261
(3R)-3-ethyl-1-[(4-methoxyphenyl)methyl]piperidine
CID 129394219

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(3S)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-3-methylsulfonylpyridine?
The IUPAC name of 5-chloro-2-[(3S)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-3-methylsulfonylpyridine (CID 92595841) is 5-chloro-2-[(3S)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-3-methylsulfonylpyridine.
What is the SMILES notation for 5-chloro-2-[(3S)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-3-methylsulfonylpyridine?
The canonical SMILES for 5-chloro-2-[(3S)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-3-methylsulfonylpyridine is COc1ccc(CN2CCC[C@H](c3ncc(Cl)cc3S(C)(=O)=O)C2)cc1.
What is the InChIKey of 5-chloro-2-[(3S)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-3-methylsulfonylpyridine?
The InChIKey is XLHNLPIHPNTDQE-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H23ClN2O3S/c1-25-17-7-5-14(6-8-17)12-22-9-3-4-15(13-22)19-18(26(2,23)24)10-16(20)11-21-19/h5-8,10-11,15H,3-4,9,12-13H2,1-2H3/t15-/m0/s1.
What are the key properties of 5-chloro-2-[(3S)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-3-methylsulfonylpyridine?
5-chloro-2-[(3S)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-3-methylsulfonylpyridine has a molecular weight of 394.92 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(3S)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-3-methylsulfonylpyridine is sourced from PubChem (CID 92595841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).