[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-thieno[2,3-c]pyridin-2-ylmethanone

C19H17ClN2O2S — CID 166282515

IUPAC[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-thieno[2,3-c]pyridin-2-ylmethanone
SMILESO=C(c1cc2ccncc2s1)N1CCC(O)(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H17ClN2O2S/c20-15-3-1-14(2-4-15)19(24)6-9-22(10-7-19)18(23)16-11-13-5-8-21-12-17(13)25-16/h1-5,8,11-12,24H,6-7,9-10H2
InChIKeyARJNEOJPABIGAE-UHFFFAOYSA-N
MW372.88 g/mol
LogP4.07
Rot. Bonds2

About [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-thieno[2,3-c]pyridin-2-ylmethanone

[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-thieno[2,3-c]pyridin-2-ylmethanone (PubChem CID 166282515) has the molecular formula C19H17ClN2O2S and a molecular weight of 372.88 g/mol. Its IUPAC name is [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-thieno[2,3-c]pyridin-2-ylmethanone.

Molecular Properties

Compound Name[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-thieno[2,3-c]pyridin-2-ylmethanone
PubChem CID166282515
Molecular FormulaC19H17ClN2O2S
Molecular Weight372.88 g/mol
Exact Mass372.07
IUPAC Name[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-thieno[2,3-c]pyridin-2-ylmethanone
SMILESO=C(c1cc2ccncc2s1)N1CCC(O)(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H17ClN2O2S/c20-15-3-1-14(2-4-15)19(24)6-9-22(10-7-19)18(23)16-11-13-5-8-21-12-17(13)25-16/h1-5,8,11-12,24H,6-7,9-10H2
InChIKeyARJNEOJPABIGAE-UHFFFAOYSA-N
XLogP4.07
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.88
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-thieno[2,3-c]pyridin-2-ylmethanone?
The IUPAC name of [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-thieno[2,3-c]pyridin-2-ylmethanone (CID 166282515) is [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-thieno[2,3-c]pyridin-2-ylmethanone.
What is the SMILES notation for [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-thieno[2,3-c]pyridin-2-ylmethanone?
The canonical SMILES for [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-thieno[2,3-c]pyridin-2-ylmethanone is O=C(c1cc2ccncc2s1)N1CCC(O)(c2ccc(Cl)cc2)CC1.
What is the InChIKey of [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-thieno[2,3-c]pyridin-2-ylmethanone?
The InChIKey is ARJNEOJPABIGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O2S/c20-15-3-1-14(2-4-15)19(24)6-9-22(10-7-19)18(23)16-11-13-5-8-21-12-17(13)25-16/h1-5,8,11-12,24H,6-7,9-10H2.
What are the key properties of [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-thieno[2,3-c]pyridin-2-ylmethanone?
[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-thieno[2,3-c]pyridin-2-ylmethanone has a molecular weight of 372.88 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-thieno[2,3-c]pyridin-2-ylmethanone is sourced from PubChem (CID 166282515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).