2,4-dichlorophenol;1-(1-thiophen-2-ylcyclohexyl)piperidine

C21H27Cl2NOS — CID 175517602

IUPAC2,4-dichlorophenol;1-(1-thiophen-2-ylcyclohexyl)piperidine
SMILESOc1ccc(Cl)cc1Cl.c1csc(C2(N3CCCCC3)CCCCC2)c1
InChIInChI=1S/C15H23NS.C6H4Cl2O/c1-3-9-15(10-4-1,14-8-7-13-17-14)16-11-5-2-6-12-16;7-4-1-2-6(9)5(8)3-4/h7-8,13H,1-6,9-12H2;1-3,9H
InChIKeyTTZNAKZOXVIYHN-UHFFFAOYSA-N
MW412.43 g/mol
LogP7.09
Rot. Bonds2

About 2,4-dichlorophenol;1-(1-thiophen-2-ylcyclohexyl)piperidine

2,4-dichlorophenol;1-(1-thiophen-2-ylcyclohexyl)piperidine (PubChem CID 175517602) has the molecular formula C21H27Cl2NOS and a molecular weight of 412.43 g/mol. Its IUPAC name is 2,4-dichlorophenol;1-(1-thiophen-2-ylcyclohexyl)piperidine.

Molecular Properties

Compound Name2,4-dichlorophenol;1-(1-thiophen-2-ylcyclohexyl)piperidine
PubChem CID175517602
Molecular FormulaC21H27Cl2NOS
Molecular Weight412.43 g/mol
Exact Mass411.12
IUPAC Name2,4-dichlorophenol;1-(1-thiophen-2-ylcyclohexyl)piperidine
SMILESOc1ccc(Cl)cc1Cl.c1csc(C2(N3CCCCC3)CCCCC2)c1
InChIInChI=1S/C15H23NS.C6H4Cl2O/c1-3-9-15(10-4-1,14-8-7-13-17-14)16-11-5-2-6-12-16;7-4-1-2-6(9)5(8)3-4/h7-8,13H,1-6,9-12H2;1-3,9H
InChIKeyTTZNAKZOXVIYHN-UHFFFAOYSA-N
XLogP7.09
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.43
LogP ≤ 57.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichlorophenol;1-(1-thiophen-2-ylcyclohexyl)piperidine?
The IUPAC name of 2,4-dichlorophenol;1-(1-thiophen-2-ylcyclohexyl)piperidine (CID 175517602) is 2,4-dichlorophenol;1-(1-thiophen-2-ylcyclohexyl)piperidine.
What is the SMILES notation for 2,4-dichlorophenol;1-(1-thiophen-2-ylcyclohexyl)piperidine?
The canonical SMILES for 2,4-dichlorophenol;1-(1-thiophen-2-ylcyclohexyl)piperidine is Oc1ccc(Cl)cc1Cl.c1csc(C2(N3CCCCC3)CCCCC2)c1.
What is the InChIKey of 2,4-dichlorophenol;1-(1-thiophen-2-ylcyclohexyl)piperidine?
The InChIKey is TTZNAKZOXVIYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NS.C6H4Cl2O/c1-3-9-15(10-4-1,14-8-7-13-17-14)16-11-5-2-6-12-16;7-4-1-2-6(9)5(8)3-4/h7-8,13H,1-6,9-12H2;1-3,9H.
What are the key properties of 2,4-dichlorophenol;1-(1-thiophen-2-ylcyclohexyl)piperidine?
2,4-dichlorophenol;1-(1-thiophen-2-ylcyclohexyl)piperidine has a molecular weight of 412.43 g/mol, XLogP of 7.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichlorophenol;1-(1-thiophen-2-ylcyclohexyl)piperidine is sourced from PubChem (CID 175517602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).