N-methyl-N-[[4-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]-1-(3-methylthiophen-2-yl)methanamine

C19H27N3S — CID 50972639

IUPACN-methyl-N-[[4-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]-1-(3-methylthiophen-2-yl)methanamine
SMILESCc1ccc(C2(CN(C)Cc3sccc3C)CCNCC2)nc1
InChIInChI=1S/C19H27N3S/c1-15-4-5-18(21-12-15)19(7-9-20-10-8-19)14-22(3)13-17-16(2)6-11-23-17/h4-6,11-12,20H,7-10,13-14H2,1-3H3
InChIKeyYOBPDHXNRXDCMA-UHFFFAOYSA-N
MW329.51 g/mol
LogP3.51
Rot. Bonds5

About N-methyl-N-[[4-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]-1-(3-methylthiophen-2-yl)methanamine

N-methyl-N-[[4-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]-1-(3-methylthiophen-2-yl)methanamine (PubChem CID 50972639) has the molecular formula C19H27N3S and a molecular weight of 329.51 g/mol. Its IUPAC name is N-methyl-N-[[4-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]-1-(3-methylthiophen-2-yl)methanamine.

Molecular Properties

Compound NameN-methyl-N-[[4-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]-1-(3-methylthiophen-2-yl)methanamine
PubChem CID50972639
Molecular FormulaC19H27N3S
Molecular Weight329.51 g/mol
Exact Mass329.19
IUPAC NameN-methyl-N-[[4-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]-1-(3-methylthiophen-2-yl)methanamine
SMILESCc1ccc(C2(CN(C)Cc3sccc3C)CCNCC2)nc1
InChIInChI=1S/C19H27N3S/c1-15-4-5-18(21-12-15)19(7-9-20-10-8-19)14-22(3)13-17-16(2)6-11-23-17/h4-6,11-12,20H,7-10,13-14H2,1-3H3
InChIKeyYOBPDHXNRXDCMA-UHFFFAOYSA-N
XLogP3.51
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.51
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-N-[[4-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]-1-(3-methylthiophen-2-yl)methanamine 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 N-methyl-N-[[4-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]-1-(3-methylthiophen-2-yl)methanamine?
The IUPAC name of N-methyl-N-[[4-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]-1-(3-methylthiophen-2-yl)methanamine (CID 50972639) is N-methyl-N-[[4-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]-1-(3-methylthiophen-2-yl)methanamine.
What is the SMILES notation for N-methyl-N-[[4-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]-1-(3-methylthiophen-2-yl)methanamine?
The canonical SMILES for N-methyl-N-[[4-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]-1-(3-methylthiophen-2-yl)methanamine is Cc1ccc(C2(CN(C)Cc3sccc3C)CCNCC2)nc1.
What is the InChIKey of N-methyl-N-[[4-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]-1-(3-methylthiophen-2-yl)methanamine?
The InChIKey is YOBPDHXNRXDCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3S/c1-15-4-5-18(21-12-15)19(7-9-20-10-8-19)14-22(3)13-17-16(2)6-11-23-17/h4-6,11-12,20H,7-10,13-14H2,1-3H3.
What are the key properties of N-methyl-N-[[4-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]-1-(3-methylthiophen-2-yl)methanamine?
N-methyl-N-[[4-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]-1-(3-methylthiophen-2-yl)methanamine has a molecular weight of 329.51 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[4-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]-1-(3-methylthiophen-2-yl)methanamine is sourced from PubChem (CID 50972639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).