1-methyl-N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-4-ylmethyl)piperidin-4-amine

C18H25N3S — CID 56893082

IUPAC1-methyl-N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-4-ylmethyl)piperidin-4-amine
SMILESCc1ccc(CN(Cc2ccncc2)C2CCN(C)CC2)s1
InChIInChI=1S/C18H25N3S/c1-15-3-4-18(22-15)14-21(13-16-5-9-19-10-6-16)17-7-11-20(2)12-8-17/h3-6,9-10,17H,7-8,11-14H2,1-2H3
InChIKeyGIBFODZBHKFBGH-UHFFFAOYSA-N
MW315.49 g/mol
LogP3.55
Rot. Bonds5

About 1-methyl-N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-4-ylmethyl)piperidin-4-amine

1-methyl-N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-4-ylmethyl)piperidin-4-amine (PubChem CID 56893082) has the molecular formula C18H25N3S and a molecular weight of 315.49 g/mol. Its IUPAC name is 1-methyl-N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-4-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-methyl-N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-4-ylmethyl)piperidin-4-amine
PubChem CID56893082
Molecular FormulaC18H25N3S
Molecular Weight315.49 g/mol
Exact Mass315.18
IUPAC Name1-methyl-N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-4-ylmethyl)piperidin-4-amine
SMILESCc1ccc(CN(Cc2ccncc2)C2CCN(C)CC2)s1
InChIInChI=1S/C18H25N3S/c1-15-3-4-18(22-15)14-21(13-16-5-9-19-10-6-16)17-7-11-20(2)12-8-17/h3-6,9-10,17H,7-8,11-14H2,1-2H3
InChIKeyGIBFODZBHKFBGH-UHFFFAOYSA-N
XLogP3.55
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.49
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-methyl-N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-4-ylmethyl)piperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-4-ylmethyl)piperidin-4-amine?
The IUPAC name of 1-methyl-N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-4-ylmethyl)piperidin-4-amine (CID 56893082) is 1-methyl-N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-4-ylmethyl)piperidin-4-amine.
What is the SMILES notation for 1-methyl-N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-4-ylmethyl)piperidin-4-amine?
The canonical SMILES for 1-methyl-N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-4-ylmethyl)piperidin-4-amine is Cc1ccc(CN(Cc2ccncc2)C2CCN(C)CC2)s1.
What is the InChIKey of 1-methyl-N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-4-ylmethyl)piperidin-4-amine?
The InChIKey is GIBFODZBHKFBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3S/c1-15-3-4-18(22-15)14-21(13-16-5-9-19-10-6-16)17-7-11-20(2)12-8-17/h3-6,9-10,17H,7-8,11-14H2,1-2H3.
What are the key properties of 1-methyl-N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-4-ylmethyl)piperidin-4-amine?
1-methyl-N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-4-ylmethyl)piperidin-4-amine has a molecular weight of 315.49 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-4-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 56893082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).