phenyl-[1-[2-[(R)-phenylsulfinyl]ethyl]piperidin-4-yl]methanone

C20H23NO2S — CID 95330711

IUPACphenyl-[1-[2-[(R)-phenylsulfinyl]ethyl]piperidin-4-yl]methanone
SMILESO=C(c1ccccc1)C1CCN(CC[S@@](=O)c2ccccc2)CC1
InChIInChI=1S/C20H23NO2S/c22-20(17-7-3-1-4-8-17)18-11-13-21(14-12-18)15-16-24(23)19-9-5-2-6-10-19/h1-10,18H,11-16H2/t24-/m1/s1
InChIKeyIKNNRQGDXUVVDL-XMMPIXPASA-N
MW341.48 g/mol
LogP3.39
Rot. Bonds6

About phenyl-[1-[2-[(R)-phenylsulfinyl]ethyl]piperidin-4-yl]methanone

phenyl-[1-[2-[(R)-phenylsulfinyl]ethyl]piperidin-4-yl]methanone (PubChem CID 95330711) has the molecular formula C20H23NO2S and a molecular weight of 341.48 g/mol. Its IUPAC name is phenyl-[1-[2-[(R)-phenylsulfinyl]ethyl]piperidin-4-yl]methanone.

Molecular Properties

Compound Namephenyl-[1-[2-[(R)-phenylsulfinyl]ethyl]piperidin-4-yl]methanone
PubChem CID95330711
Molecular FormulaC20H23NO2S
Molecular Weight341.48 g/mol
Exact Mass341.14
IUPAC Namephenyl-[1-[2-[(R)-phenylsulfinyl]ethyl]piperidin-4-yl]methanone
SMILESO=C(c1ccccc1)C1CCN(CC[S@@](=O)c2ccccc2)CC1
InChIInChI=1S/C20H23NO2S/c22-20(17-7-3-1-4-8-17)18-11-13-21(14-12-18)15-16-24(23)19-9-5-2-6-10-19/h1-10,18H,11-16H2/t24-/m1/s1
InChIKeyIKNNRQGDXUVVDL-XMMPIXPASA-N
XLogP3.39
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-aminoethyl)piperidin-4-yl]-phenylmethanone
CID 91529814
(1-hexylpiperidin-4-yl)-phenylmethanone
CID 21135926
(1-heptylpiperidin-4-yl)-phenylmethanone
CID 72793584
1-[2-(benzenesulfinyl)ethyl]azepane;hydrochloride
CID 3053263
[1-(cyclopropylmethyl)piperidin-4-yl]-phenylmethanone
CID 136515283
[4-[2-[(R)-phenylsulfinyl]ethyl]piperazin-1-yl]-piperidin-1-ylmethanone
CID 95298457
2-[4-(4-benzoylpiperidin-1-yl)butyl]isoindole-1,3-dione
CID 16609140
3-[2-(4-benzoylpiperidin-1-yl)ethyl]-1,3-oxazolidin-2-one
CID 56811485
propan-2-yl 3-(4-benzoylpiperidin-1-yl)propanoate
CID 56807214
(4-benzoylcyclohexyl)-phenylmethanone
CID 24722598
[1-[(2R)-2-hydroxybutyl]piperidin-4-yl]-phenylmethanone
CID 111487256
3-[2-(4-benzoylpiperidin-1-yl)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 136526629

Frequently Asked Questions

What is the IUPAC name of phenyl-[1-[2-[(R)-phenylsulfinyl]ethyl]piperidin-4-yl]methanone?
The IUPAC name of phenyl-[1-[2-[(R)-phenylsulfinyl]ethyl]piperidin-4-yl]methanone (CID 95330711) is phenyl-[1-[2-[(R)-phenylsulfinyl]ethyl]piperidin-4-yl]methanone.
What is the SMILES notation for phenyl-[1-[2-[(R)-phenylsulfinyl]ethyl]piperidin-4-yl]methanone?
The canonical SMILES for phenyl-[1-[2-[(R)-phenylsulfinyl]ethyl]piperidin-4-yl]methanone is O=C(c1ccccc1)C1CCN(CC[S@@](=O)c2ccccc2)CC1.
What is the InChIKey of phenyl-[1-[2-[(R)-phenylsulfinyl]ethyl]piperidin-4-yl]methanone?
The InChIKey is IKNNRQGDXUVVDL-XMMPIXPASA-N. The full InChI is InChI=1S/C20H23NO2S/c22-20(17-7-3-1-4-8-17)18-11-13-21(14-12-18)15-16-24(23)19-9-5-2-6-10-19/h1-10,18H,11-16H2/t24-/m1/s1.
What are the key properties of phenyl-[1-[2-[(R)-phenylsulfinyl]ethyl]piperidin-4-yl]methanone?
phenyl-[1-[2-[(R)-phenylsulfinyl]ethyl]piperidin-4-yl]methanone has a molecular weight of 341.48 g/mol, XLogP of 3.39, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[1-[2-[(R)-phenylsulfinyl]ethyl]piperidin-4-yl]methanone is sourced from PubChem (CID 95330711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).