1-[(3S,4S)-3-hydroxy-4-phenylpiperidin-1-yl]-2-thiophen-3-ylethanone

C17H19NO2S — CID 162636606

IUPAC1-[(3S,4S)-3-hydroxy-4-phenylpiperidin-1-yl]-2-thiophen-3-ylethanone
SMILESO=C(Cc1ccsc1)N1CC[C@@H](c2ccccc2)[C@H](O)C1
InChIInChI=1S/C17H19NO2S/c19-16-11-18(17(20)10-13-7-9-21-12-13)8-6-15(16)14-4-2-1-3-5-14/h1-5,7,9,12,15-16,19H,6,8,10-11H2/t15-,16+/m0/s1
InChIKeyFPBYNVNBTGTHFG-JKSUJKDBSA-N
MW301.41 g/mol
LogP2.67
Rot. Bonds3

About 1-[(3S,4S)-3-hydroxy-4-phenylpiperidin-1-yl]-2-thiophen-3-ylethanone

1-[(3S,4S)-3-hydroxy-4-phenylpiperidin-1-yl]-2-thiophen-3-ylethanone (PubChem CID 162636606) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is 1-[(3S,4S)-3-hydroxy-4-phenylpiperidin-1-yl]-2-thiophen-3-ylethanone.

Molecular Properties

Compound Name1-[(3S,4S)-3-hydroxy-4-phenylpiperidin-1-yl]-2-thiophen-3-ylethanone
PubChem CID162636606
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC Name1-[(3S,4S)-3-hydroxy-4-phenylpiperidin-1-yl]-2-thiophen-3-ylethanone
SMILESO=C(Cc1ccsc1)N1CC[C@@H](c2ccccc2)[C@H](O)C1
InChIInChI=1S/C17H19NO2S/c19-16-11-18(17(20)10-13-7-9-21-12-13)8-6-15(16)14-4-2-1-3-5-14/h1-5,7,9,12,15-16,19H,6,8,10-11H2/t15-,16+/m0/s1
InChIKeyFPBYNVNBTGTHFG-JKSUJKDBSA-N
XLogP2.67
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3S)-3-hydroxypiperidin-1-yl]-2-thiophen-3-ylethanone
CID 71649381
1-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-2-thiophen-3-ylethanone
CID 94407469
1-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-thiophen-3-ylethanone
CID 62349580
1-[(3R,4R)-3-(1,2,4-oxadiazol-3-yl)-4-phenylpyrrolidin-1-yl]-2-thiophen-3-ylethanone
CID 129417124
1-[(3S,4S)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]-2-thiophen-3-ylethanone
CID 91792162
1-[4-(2-hydroxyethyl)piperidin-1-yl]-2-thiophen-3-ylethanone
CID 121200714
(3R)-1-(2-thiophen-3-ylacetyl)piperidine-3-carboxamide
CID 94164984
1-(azocan-1-yl)-2-thiophen-3-ylethanone
CID 112769654
1-[(3R)-3-methylpiperazin-1-yl]-2-thiophen-3-ylethanone
CID 81427853
1-[3-(4-chlorophenyl)azepan-1-yl]-2-thiophen-3-ylethanone
CID 121146683
1-[(2R)-2-phenylpiperazin-1-yl]-2-thiophen-3-ylethanone
CID 125022040
1-[(3R)-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-2-thiophen-3-ylethanone
CID 29181741

Frequently Asked Questions

What is the IUPAC name of 1-[(3S,4S)-3-hydroxy-4-phenylpiperidin-1-yl]-2-thiophen-3-ylethanone?
The IUPAC name of 1-[(3S,4S)-3-hydroxy-4-phenylpiperidin-1-yl]-2-thiophen-3-ylethanone (CID 162636606) is 1-[(3S,4S)-3-hydroxy-4-phenylpiperidin-1-yl]-2-thiophen-3-ylethanone.
What is the SMILES notation for 1-[(3S,4S)-3-hydroxy-4-phenylpiperidin-1-yl]-2-thiophen-3-ylethanone?
The canonical SMILES for 1-[(3S,4S)-3-hydroxy-4-phenylpiperidin-1-yl]-2-thiophen-3-ylethanone is O=C(Cc1ccsc1)N1CC[C@@H](c2ccccc2)[C@H](O)C1.
What is the InChIKey of 1-[(3S,4S)-3-hydroxy-4-phenylpiperidin-1-yl]-2-thiophen-3-ylethanone?
The InChIKey is FPBYNVNBTGTHFG-JKSUJKDBSA-N. The full InChI is InChI=1S/C17H19NO2S/c19-16-11-18(17(20)10-13-7-9-21-12-13)8-6-15(16)14-4-2-1-3-5-14/h1-5,7,9,12,15-16,19H,6,8,10-11H2/t15-,16+/m0/s1.
What are the key properties of 1-[(3S,4S)-3-hydroxy-4-phenylpiperidin-1-yl]-2-thiophen-3-ylethanone?
1-[(3S,4S)-3-hydroxy-4-phenylpiperidin-1-yl]-2-thiophen-3-ylethanone has a molecular weight of 301.41 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S,4S)-3-hydroxy-4-phenylpiperidin-1-yl]-2-thiophen-3-ylethanone is sourced from PubChem (CID 162636606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).