5-(4-hydroxy-4-thiophen-2-ylpiperidin-1-yl)-2,2-diphenylpentanenitrile

C26H28N2OS — CID 10788075

IUPAC5-(4-hydroxy-4-thiophen-2-ylpiperidin-1-yl)-2,2-diphenylpentanenitrile
SMILESN#CC(CCCN1CCC(O)(c2cccs2)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H28N2OS/c27-21-25(22-9-3-1-4-10-22,23-11-5-2-6-12-23)14-8-17-28-18-15-26(29,16-19-28)24-13-7-20-30-24/h1-7,9-13,20,29H,8,14-19H2
InChIKeyAMWWMOSIDFEYQX-UHFFFAOYSA-N
MW416.59 g/mol
LogP5.32
Rot. Bonds7

About 5-(4-hydroxy-4-thiophen-2-ylpiperidin-1-yl)-2,2-diphenylpentanenitrile

5-(4-hydroxy-4-thiophen-2-ylpiperidin-1-yl)-2,2-diphenylpentanenitrile (PubChem CID 10788075) has the molecular formula C26H28N2OS and a molecular weight of 416.59 g/mol. Its IUPAC name is 5-(4-hydroxy-4-thiophen-2-ylpiperidin-1-yl)-2,2-diphenylpentanenitrile.

Molecular Properties

Compound Name5-(4-hydroxy-4-thiophen-2-ylpiperidin-1-yl)-2,2-diphenylpentanenitrile
PubChem CID10788075
Molecular FormulaC26H28N2OS
Molecular Weight416.59 g/mol
Exact Mass416.19
IUPAC Name5-(4-hydroxy-4-thiophen-2-ylpiperidin-1-yl)-2,2-diphenylpentanenitrile
SMILESN#CC(CCCN1CCC(O)(c2cccs2)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H28N2OS/c27-21-25(22-9-3-1-4-10-22,23-11-5-2-6-12-23)14-8-17-28-18-15-26(29,16-19-28)24-13-7-20-30-24/h1-7,9-13,20,29H,8,14-19H2
InChIKeyAMWWMOSIDFEYQX-UHFFFAOYSA-N
XLogP5.32
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.59
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 10315818
CID 10315818
CID 3063066
CID 3063066
CID 3063068
CID 3063068
CID 9804868
CID 9804868
CID 10547456
CID 10547456
CID 10690854
CID 10690854
CID 44426824
CID 44426824
CID 44430033
CID 44430033
CID 9652
CID 9652
CID 121415
CID 121415
CID 3039253
CID 3039253
CID 3063065
CID 3063065

Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxy-4-thiophen-2-ylpiperidin-1-yl)-2,2-diphenylpentanenitrile?
The IUPAC name of 5-(4-hydroxy-4-thiophen-2-ylpiperidin-1-yl)-2,2-diphenylpentanenitrile (CID 10788075) is 5-(4-hydroxy-4-thiophen-2-ylpiperidin-1-yl)-2,2-diphenylpentanenitrile.
What is the SMILES notation for 5-(4-hydroxy-4-thiophen-2-ylpiperidin-1-yl)-2,2-diphenylpentanenitrile?
The canonical SMILES for 5-(4-hydroxy-4-thiophen-2-ylpiperidin-1-yl)-2,2-diphenylpentanenitrile is N#CC(CCCN1CCC(O)(c2cccs2)CC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 5-(4-hydroxy-4-thiophen-2-ylpiperidin-1-yl)-2,2-diphenylpentanenitrile?
The InChIKey is AMWWMOSIDFEYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2OS/c27-21-25(22-9-3-1-4-10-22,23-11-5-2-6-12-23)14-8-17-28-18-15-26(29,16-19-28)24-13-7-20-30-24/h1-7,9-13,20,29H,8,14-19H2.
What are the key properties of 5-(4-hydroxy-4-thiophen-2-ylpiperidin-1-yl)-2,2-diphenylpentanenitrile?
5-(4-hydroxy-4-thiophen-2-ylpiperidin-1-yl)-2,2-diphenylpentanenitrile has a molecular weight of 416.59 g/mol, XLogP of 5.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxy-4-thiophen-2-ylpiperidin-1-yl)-2,2-diphenylpentanenitrile is sourced from PubChem (CID 10788075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).