2,2,6,6-tetramethyl-N-[(3-methylthiophen-2-yl)methyl]-N-(pyridin-3-ylmethyl)piperidin-4-amine

C21H31N3S — CID 16677198

IUPAC2,2,6,6-tetramethyl-N-[(3-methylthiophen-2-yl)methyl]-N-(pyridin-3-ylmethyl)piperidin-4-amine
SMILESCc1ccsc1CN(Cc1cccnc1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C21H31N3S/c1-16-8-10-25-19(16)15-24(14-17-7-6-9-22-13-17)18-11-20(2,3)23-21(4,5)12-18/h6-10,13,18,23H,11-12,14-15H2,1-5H3
InChIKeyIKJCCVIIPAJULZ-UHFFFAOYSA-N
MW357.57 g/mol
LogP4.76
Rot. Bonds5

About 2,2,6,6-tetramethyl-N-[(3-methylthiophen-2-yl)methyl]-N-(pyridin-3-ylmethyl)piperidin-4-amine

2,2,6,6-tetramethyl-N-[(3-methylthiophen-2-yl)methyl]-N-(pyridin-3-ylmethyl)piperidin-4-amine (PubChem CID 16677198) has the molecular formula C21H31N3S and a molecular weight of 357.57 g/mol. Its IUPAC name is 2,2,6,6-tetramethyl-N-[(3-methylthiophen-2-yl)methyl]-N-(pyridin-3-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound Name2,2,6,6-tetramethyl-N-[(3-methylthiophen-2-yl)methyl]-N-(pyridin-3-ylmethyl)piperidin-4-amine
PubChem CID16677198
Molecular FormulaC21H31N3S
Molecular Weight357.57 g/mol
Exact Mass357.22
IUPAC Name2,2,6,6-tetramethyl-N-[(3-methylthiophen-2-yl)methyl]-N-(pyridin-3-ylmethyl)piperidin-4-amine
SMILESCc1ccsc1CN(Cc1cccnc1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C21H31N3S/c1-16-8-10-25-19(16)15-24(14-17-7-6-9-22-13-17)18-11-20(2,3)23-21(4,5)12-18/h6-10,13,18,23H,11-12,14-15H2,1-5H3
InChIKeyIKJCCVIIPAJULZ-UHFFFAOYSA-N
XLogP4.76
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.57
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,6,6-tetramethyl-N-[(3-methylthiophen-2-yl)methyl]-N-(pyridin-3-ylmethyl)piperidin-4-amine?
The IUPAC name of 2,2,6,6-tetramethyl-N-[(3-methylthiophen-2-yl)methyl]-N-(pyridin-3-ylmethyl)piperidin-4-amine (CID 16677198) is 2,2,6,6-tetramethyl-N-[(3-methylthiophen-2-yl)methyl]-N-(pyridin-3-ylmethyl)piperidin-4-amine.
What is the SMILES notation for 2,2,6,6-tetramethyl-N-[(3-methylthiophen-2-yl)methyl]-N-(pyridin-3-ylmethyl)piperidin-4-amine?
The canonical SMILES for 2,2,6,6-tetramethyl-N-[(3-methylthiophen-2-yl)methyl]-N-(pyridin-3-ylmethyl)piperidin-4-amine is Cc1ccsc1CN(Cc1cccnc1)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 2,2,6,6-tetramethyl-N-[(3-methylthiophen-2-yl)methyl]-N-(pyridin-3-ylmethyl)piperidin-4-amine?
The InChIKey is IKJCCVIIPAJULZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3S/c1-16-8-10-25-19(16)15-24(14-17-7-6-9-22-13-17)18-11-20(2,3)23-21(4,5)12-18/h6-10,13,18,23H,11-12,14-15H2,1-5H3.
What are the key properties of 2,2,6,6-tetramethyl-N-[(3-methylthiophen-2-yl)methyl]-N-(pyridin-3-ylmethyl)piperidin-4-amine?
2,2,6,6-tetramethyl-N-[(3-methylthiophen-2-yl)methyl]-N-(pyridin-3-ylmethyl)piperidin-4-amine has a molecular weight of 357.57 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetramethyl-N-[(3-methylthiophen-2-yl)methyl]-N-(pyridin-3-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 16677198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).