2-(2,3-dimethylpiperidin-1-yl)-2-(4-methylsulfanylphenyl)ethanamine

C16H26N2S — CID 55040419

IUPAC2-(2,3-dimethylpiperidin-1-yl)-2-(4-methylsulfanylphenyl)ethanamine
SMILESCSc1ccc(C(CN)N2CCCC(C)C2C)cc1
InChIInChI=1S/C16H26N2S/c1-12-5-4-10-18(13(12)2)16(11-17)14-6-8-15(19-3)9-7-14/h6-9,12-13,16H,4-5,10-11,17H2,1-3H3
InChIKeyLBFRUHWXOKKYPI-UHFFFAOYSA-N
MW278.47 g/mol
LogP3.53
Rot. Bonds4

About 2-(2,3-dimethylpiperidin-1-yl)-2-(4-methylsulfanylphenyl)ethanamine

2-(2,3-dimethylpiperidin-1-yl)-2-(4-methylsulfanylphenyl)ethanamine (PubChem CID 55040419) has the molecular formula C16H26N2S and a molecular weight of 278.47 g/mol. Its IUPAC name is 2-(2,3-dimethylpiperidin-1-yl)-2-(4-methylsulfanylphenyl)ethanamine.

Molecular Properties

Compound Name2-(2,3-dimethylpiperidin-1-yl)-2-(4-methylsulfanylphenyl)ethanamine
PubChem CID55040419
Molecular FormulaC16H26N2S
Molecular Weight278.47 g/mol
Exact Mass278.18
IUPAC Name2-(2,3-dimethylpiperidin-1-yl)-2-(4-methylsulfanylphenyl)ethanamine
SMILESCSc1ccc(C(CN)N2CCCC(C)C2C)cc1
InChIInChI=1S/C16H26N2S/c1-12-5-4-10-18(13(12)2)16(11-17)14-6-8-15(19-3)9-7-14/h6-9,12-13,16H,4-5,10-11,17H2,1-3H3
InChIKeyLBFRUHWXOKKYPI-UHFFFAOYSA-N
XLogP3.53
TPSA29.26 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 ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-3-fluorophenyl)-2-(2,3-dimethylpiperidin-1-yl)ethanamine
CID 62124067
2-(3-bromo-4-fluorophenyl)-2-(2,3-dimethylpiperidin-1-yl)ethanamine
CID 62125147
2-[3-(difluoromethyl)phenyl]-2-(2,3-dimethylpiperidin-1-yl)ethanamine
CID 115526864
2-(2,3-dimethylpiperidin-1-yl)-2-(4-methoxy-3-methylphenyl)ethanamine
CID 62132977
3-(2,3-dimethylpiperidin-1-yl)-3-phenylpropan-1-amine
CID 62779217
2-(3,4-dimethylpiperazin-1-yl)-2-(4-methylsulfanylphenyl)ethanamine
CID 63605581
2-(2,3-dimethylpiperidin-1-yl)-2-(5-methylthiophen-2-yl)ethanamine
CID 62124587
2-(4-bromo-2-fluorophenyl)-2-(2,3-dimethylpiperidin-1-yl)ethanamine
CID 62123532
2-(2,6-dimethylmorpholin-4-yl)-2-(4-methylsulfanylphenyl)ethanamine
CID 43089491
2-(4-methyl-1,4-diazepan-1-yl)-2-(4-methylsulfanylphenyl)ethanamine
CID 43131514
2-(2,3-dimethylpiperidin-1-yl)-2-(3-methylimidazol-4-yl)ethanamine
CID 66119615
2-(2,3-dimethoxyphenyl)-2-(2,3-dimethylpiperidin-1-yl)ethanamine
CID 62124787

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylpiperidin-1-yl)-2-(4-methylsulfanylphenyl)ethanamine?
The IUPAC name of 2-(2,3-dimethylpiperidin-1-yl)-2-(4-methylsulfanylphenyl)ethanamine (CID 55040419) is 2-(2,3-dimethylpiperidin-1-yl)-2-(4-methylsulfanylphenyl)ethanamine.
What is the SMILES notation for 2-(2,3-dimethylpiperidin-1-yl)-2-(4-methylsulfanylphenyl)ethanamine?
The canonical SMILES for 2-(2,3-dimethylpiperidin-1-yl)-2-(4-methylsulfanylphenyl)ethanamine is CSc1ccc(C(CN)N2CCCC(C)C2C)cc1.
What is the InChIKey of 2-(2,3-dimethylpiperidin-1-yl)-2-(4-methylsulfanylphenyl)ethanamine?
The InChIKey is LBFRUHWXOKKYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2S/c1-12-5-4-10-18(13(12)2)16(11-17)14-6-8-15(19-3)9-7-14/h6-9,12-13,16H,4-5,10-11,17H2,1-3H3.
What are the key properties of 2-(2,3-dimethylpiperidin-1-yl)-2-(4-methylsulfanylphenyl)ethanamine?
2-(2,3-dimethylpiperidin-1-yl)-2-(4-methylsulfanylphenyl)ethanamine has a molecular weight of 278.47 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylpiperidin-1-yl)-2-(4-methylsulfanylphenyl)ethanamine is sourced from PubChem (CID 55040419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).