5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-thiophen-2-ylpentanenitrile

C20H23ClN2OS — CID 10547456

IUPAC5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-thiophen-2-ylpentanenitrile
SMILESN#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1cccs1
InChIInChI=1S/C20H23ClN2OS/c21-18-7-5-17(6-8-18)20(24)9-12-23(13-10-20)11-1-3-16(15-22)19-4-2-14-25-19/h2,4-8,14,16,24H,1,3,9-13H2
InChIKeyCMFKIUAFSUSUDX-UHFFFAOYSA-N
MW374.94 g/mol
LogP4.77
Rot. Bonds6

About 5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-thiophen-2-ylpentanenitrile

5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-thiophen-2-ylpentanenitrile (PubChem CID 10547456) has the molecular formula C20H23ClN2OS and a molecular weight of 374.94 g/mol. Its IUPAC name is 5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-thiophen-2-ylpentanenitrile.

Molecular Properties

Compound Name5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-thiophen-2-ylpentanenitrile
PubChem CID10547456
Molecular FormulaC20H23ClN2OS
Molecular Weight374.94 g/mol
Exact Mass374.12
IUPAC Name5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-thiophen-2-ylpentanenitrile
SMILESN#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1cccs1
InChIInChI=1S/C20H23ClN2OS/c21-18-7-5-17(6-8-18)20(24)9-12-23(13-10-20)11-1-3-16(15-22)19-4-2-14-25-19/h2,4-8,14,16,24H,1,3,9-13H2
InChIKeyCMFKIUAFSUSUDX-UHFFFAOYSA-N
XLogP4.77
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.94
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-thiophen-2-ylpentanenitrile?
The IUPAC name of 5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-thiophen-2-ylpentanenitrile (CID 10547456) is 5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-thiophen-2-ylpentanenitrile.
What is the SMILES notation for 5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-thiophen-2-ylpentanenitrile?
The canonical SMILES for 5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-thiophen-2-ylpentanenitrile is N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1cccs1.
What is the InChIKey of 5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-thiophen-2-ylpentanenitrile?
The InChIKey is CMFKIUAFSUSUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2OS/c21-18-7-5-17(6-8-18)20(24)9-12-23(13-10-20)11-1-3-16(15-22)19-4-2-14-25-19/h2,4-8,14,16,24H,1,3,9-13H2.
What are the key properties of 5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-thiophen-2-ylpentanenitrile?
5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-thiophen-2-ylpentanenitrile has a molecular weight of 374.94 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-thiophen-2-ylpentanenitrile is sourced from PubChem (CID 10547456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).