1,2-dimethyl-N-[1-(4-methylsulfanylphenyl)ethyl]piperidin-4-amine

C16H26N2S — CID 79144680

IUPAC1,2-dimethyl-N-[1-(4-methylsulfanylphenyl)ethyl]piperidin-4-amine
SMILESCSc1ccc(C(C)NC2CCN(C)C(C)C2)cc1
InChIInChI=1S/C16H26N2S/c1-12-11-15(9-10-18(12)3)17-13(2)14-5-7-16(19-4)8-6-14/h5-8,12-13,15,17H,9-11H2,1-4H3
InChIKeyLJMYAGNKCUUPPZ-UHFFFAOYSA-N
MW278.47 g/mol
LogP3.54
Rot. Bonds4

About 1,2-dimethyl-N-[1-(4-methylsulfanylphenyl)ethyl]piperidin-4-amine

1,2-dimethyl-N-[1-(4-methylsulfanylphenyl)ethyl]piperidin-4-amine (PubChem CID 79144680) has the molecular formula C16H26N2S and a molecular weight of 278.47 g/mol. Its IUPAC name is 1,2-dimethyl-N-[1-(4-methylsulfanylphenyl)ethyl]piperidin-4-amine.

Molecular Properties

Compound Name1,2-dimethyl-N-[1-(4-methylsulfanylphenyl)ethyl]piperidin-4-amine
PubChem CID79144680
Molecular FormulaC16H26N2S
Molecular Weight278.47 g/mol
Exact Mass278.18
IUPAC Name1,2-dimethyl-N-[1-(4-methylsulfanylphenyl)ethyl]piperidin-4-amine
SMILESCSc1ccc(C(C)NC2CCN(C)C(C)C2)cc1
InChIInChI=1S/C16H26N2S/c1-12-11-15(9-10-18(12)3)17-13(2)14-5-7-16(19-4)8-6-14/h5-8,12-13,15,17H,9-11H2,1-4H3
InChIKeyLJMYAGNKCUUPPZ-UHFFFAOYSA-N
XLogP3.54
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.47
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-N-[1-(4-methylsulfanylphenyl)ethyl]piperidin-4-amine?
The IUPAC name of 1,2-dimethyl-N-[1-(4-methylsulfanylphenyl)ethyl]piperidin-4-amine (CID 79144680) is 1,2-dimethyl-N-[1-(4-methylsulfanylphenyl)ethyl]piperidin-4-amine.
What is the SMILES notation for 1,2-dimethyl-N-[1-(4-methylsulfanylphenyl)ethyl]piperidin-4-amine?
The canonical SMILES for 1,2-dimethyl-N-[1-(4-methylsulfanylphenyl)ethyl]piperidin-4-amine is CSc1ccc(C(C)NC2CCN(C)C(C)C2)cc1.
What is the InChIKey of 1,2-dimethyl-N-[1-(4-methylsulfanylphenyl)ethyl]piperidin-4-amine?
The InChIKey is LJMYAGNKCUUPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2S/c1-12-11-15(9-10-18(12)3)17-13(2)14-5-7-16(19-4)8-6-14/h5-8,12-13,15,17H,9-11H2,1-4H3.
What are the key properties of 1,2-dimethyl-N-[1-(4-methylsulfanylphenyl)ethyl]piperidin-4-amine?
1,2-dimethyl-N-[1-(4-methylsulfanylphenyl)ethyl]piperidin-4-amine has a molecular weight of 278.47 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-N-[1-(4-methylsulfanylphenyl)ethyl]piperidin-4-amine is sourced from PubChem (CID 79144680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).