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

C12H20N2S — CID 43215936

IUPAC1-methyl-N-[(5-methylthiophen-2-yl)methyl]piperidin-4-amine
SMILESCc1ccc(CNC2CCN(C)CC2)s1
InChIInChI=1S/C12H20N2S/c1-10-3-4-12(15-10)9-13-11-5-7-14(2)8-6-11/h3-4,11,13H,5-9H2,1-2H3
InChIKeySOVDOENKIIKNLW-UHFFFAOYSA-N
MW224.37 g/mol
LogP2.24
Rot. Bonds3

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

1-methyl-N-[(5-methylthiophen-2-yl)methyl]piperidin-4-amine (PubChem CID 43215936) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is 1-methyl-N-[(5-methylthiophen-2-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-methyl-N-[(5-methylthiophen-2-yl)methyl]piperidin-4-amine
PubChem CID43215936
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC Name1-methyl-N-[(5-methylthiophen-2-yl)methyl]piperidin-4-amine
SMILESCc1ccc(CNC2CCN(C)CC2)s1
InChIInChI=1S/C12H20N2S/c1-10-3-4-12(15-10)9-13-11-5-7-14(2)8-6-11/h3-4,11,13H,5-9H2,1-2H3
InChIKeySOVDOENKIIKNLW-UHFFFAOYSA-N
XLogP2.24
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(5-methylthiophen-2-yl)methyl]piperidin-4-amine?
The IUPAC name of 1-methyl-N-[(5-methylthiophen-2-yl)methyl]piperidin-4-amine (CID 43215936) is 1-methyl-N-[(5-methylthiophen-2-yl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-methyl-N-[(5-methylthiophen-2-yl)methyl]piperidin-4-amine?
The canonical SMILES for 1-methyl-N-[(5-methylthiophen-2-yl)methyl]piperidin-4-amine is Cc1ccc(CNC2CCN(C)CC2)s1.
What is the InChIKey of 1-methyl-N-[(5-methylthiophen-2-yl)methyl]piperidin-4-amine?
The InChIKey is SOVDOENKIIKNLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-10-3-4-12(15-10)9-13-11-5-7-14(2)8-6-11/h3-4,11,13H,5-9H2,1-2H3.
What are the key properties of 1-methyl-N-[(5-methylthiophen-2-yl)methyl]piperidin-4-amine?
1-methyl-N-[(5-methylthiophen-2-yl)methyl]piperidin-4-amine has a molecular weight of 224.37 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(5-methylthiophen-2-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 43215936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).