N-ethyl-2-methyl-1-(thiophen-3-ylmethyl)piperidin-4-amine

C13H22N2S — CID 63248087

IUPACN-ethyl-2-methyl-1-(thiophen-3-ylmethyl)piperidin-4-amine
SMILESCCNC1CCN(Cc2ccsc2)C(C)C1
InChIInChI=1S/C13H22N2S/c1-3-14-13-4-6-15(11(2)8-13)9-12-5-7-16-10-12/h5,7,10-11,13-14H,3-4,6,8-9H2,1-2H3
InChIKeyKPMJAAFKIVUCKT-UHFFFAOYSA-N
MW238.40 g/mol
LogP2.71
Rot. Bonds4

About N-ethyl-2-methyl-1-(thiophen-3-ylmethyl)piperidin-4-amine

N-ethyl-2-methyl-1-(thiophen-3-ylmethyl)piperidin-4-amine (PubChem CID 63248087) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is N-ethyl-2-methyl-1-(thiophen-3-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-1-(thiophen-3-ylmethyl)piperidin-4-amine
PubChem CID63248087
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC NameN-ethyl-2-methyl-1-(thiophen-3-ylmethyl)piperidin-4-amine
SMILESCCNC1CCN(Cc2ccsc2)C(C)C1
InChIInChI=1S/C13H22N2S/c1-3-14-13-4-6-15(11(2)8-13)9-12-5-7-16-10-12/h5,7,10-11,13-14H,3-4,6,8-9H2,1-2H3
InChIKeyKPMJAAFKIVUCKT-UHFFFAOYSA-N
XLogP2.71
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-2-methyl-1-(thiophen-3-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 N-ethyl-2-methyl-1-(thiophen-3-ylmethyl)piperidin-4-amine?
The IUPAC name of N-ethyl-2-methyl-1-(thiophen-3-ylmethyl)piperidin-4-amine (CID 63248087) is N-ethyl-2-methyl-1-(thiophen-3-ylmethyl)piperidin-4-amine.
What is the SMILES notation for N-ethyl-2-methyl-1-(thiophen-3-ylmethyl)piperidin-4-amine?
The canonical SMILES for N-ethyl-2-methyl-1-(thiophen-3-ylmethyl)piperidin-4-amine is CCNC1CCN(Cc2ccsc2)C(C)C1.
What is the InChIKey of N-ethyl-2-methyl-1-(thiophen-3-ylmethyl)piperidin-4-amine?
The InChIKey is KPMJAAFKIVUCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-3-14-13-4-6-15(11(2)8-13)9-12-5-7-16-10-12/h5,7,10-11,13-14H,3-4,6,8-9H2,1-2H3.
What are the key properties of N-ethyl-2-methyl-1-(thiophen-3-ylmethyl)piperidin-4-amine?
N-ethyl-2-methyl-1-(thiophen-3-ylmethyl)piperidin-4-amine has a molecular weight of 238.40 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-1-(thiophen-3-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 63248087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).