1-methyl-N-[phenyl(thiophen-2-yl)methyl]piperidin-4-amine

C17H22N2S — CID 43224396

IUPAC1-methyl-N-[phenyl(thiophen-2-yl)methyl]piperidin-4-amine
SMILESCN1CCC(NC(c2ccccc2)c2cccs2)CC1
InChIInChI=1S/C17H22N2S/c1-19-11-9-15(10-12-19)18-17(16-8-5-13-20-16)14-6-3-2-4-7-14/h2-8,13,15,17-18H,9-12H2,1H3
InChIKeyLTVRYRGNQQDUML-UHFFFAOYSA-N
MW286.44 g/mol
LogP3.52
Rot. Bonds4

About 1-methyl-N-[phenyl(thiophen-2-yl)methyl]piperidin-4-amine

1-methyl-N-[phenyl(thiophen-2-yl)methyl]piperidin-4-amine (PubChem CID 43224396) has the molecular formula C17H22N2S and a molecular weight of 286.44 g/mol. Its IUPAC name is 1-methyl-N-[phenyl(thiophen-2-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-methyl-N-[phenyl(thiophen-2-yl)methyl]piperidin-4-amine
PubChem CID43224396
Molecular FormulaC17H22N2S
Molecular Weight286.44 g/mol
Exact Mass286.15
IUPAC Name1-methyl-N-[phenyl(thiophen-2-yl)methyl]piperidin-4-amine
SMILESCN1CCC(NC(c2ccccc2)c2cccs2)CC1
InChIInChI=1S/C17H22N2S/c1-19-11-9-15(10-12-19)18-17(16-8-5-13-20-16)14-6-3-2-4-7-14/h2-8,13,15,17-18H,9-12H2,1H3
InChIKeyLTVRYRGNQQDUML-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzhydryl-1-methylpiperidin-4-amine;dihydrochloride
CID 134094585
1-cyclopropyl-N-[phenyl(thiophen-2-yl)methyl]pyrrolidin-3-amine
CID 62981126
3-methyl-N-[phenyl(thiophen-2-yl)methyl]cyclobutan-1-amine
CID 104859620
3-methyl-N-[phenyl(thiophen-2-yl)methyl]cyclohexan-1-amine
CID 43224426
N-[phenyl(thiophen-2-yl)methyl]thian-3-amine
CID 62873455
N-[phenyl(thiophen-2-yl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 43722098
N-(dithiophen-2-ylmethyl)cyclopentanamine
CID 43756506
N-(2,2-dimethyl-1-phenylpropyl)-1-methylpiperidin-4-amine
CID 43693262
2,2-dimethyl-N-[phenyl(thiophen-2-yl)methyl]cyclopentan-1-amine
CID 79859844
2,5-dimethyl-N-[phenyl(thiophen-2-yl)methyl]cyclohexan-1-amine
CID 64763028
1-methyl-N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]piperidin-4-amine
CID 75383078
1-methyl-N-[(1S)-1-phenylethyl]azepan-4-amine
CID 81350289

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[phenyl(thiophen-2-yl)methyl]piperidin-4-amine?
The IUPAC name of 1-methyl-N-[phenyl(thiophen-2-yl)methyl]piperidin-4-amine (CID 43224396) is 1-methyl-N-[phenyl(thiophen-2-yl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-methyl-N-[phenyl(thiophen-2-yl)methyl]piperidin-4-amine?
The canonical SMILES for 1-methyl-N-[phenyl(thiophen-2-yl)methyl]piperidin-4-amine is CN1CCC(NC(c2ccccc2)c2cccs2)CC1.
What is the InChIKey of 1-methyl-N-[phenyl(thiophen-2-yl)methyl]piperidin-4-amine?
The InChIKey is LTVRYRGNQQDUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2S/c1-19-11-9-15(10-12-19)18-17(16-8-5-13-20-16)14-6-3-2-4-7-14/h2-8,13,15,17-18H,9-12H2,1H3.
What are the key properties of 1-methyl-N-[phenyl(thiophen-2-yl)methyl]piperidin-4-amine?
1-methyl-N-[phenyl(thiophen-2-yl)methyl]piperidin-4-amine has a molecular weight of 286.44 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[phenyl(thiophen-2-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 43224396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).