N-methyl-1-[1-(3-methylthiophen-2-yl)ethyl]piperidin-3-amine

C13H22N2S — CID 63992505

IUPACN-methyl-1-[1-(3-methylthiophen-2-yl)ethyl]piperidin-3-amine
SMILESCNC1CCCN(C(C)c2sccc2C)C1
InChIInChI=1S/C13H22N2S/c1-10-6-8-16-13(10)11(2)15-7-4-5-12(9-15)14-3/h6,8,11-12,14H,4-5,7,9H2,1-3H3
InChIKeySCWMDRMMJIPLQR-UHFFFAOYSA-N
MW238.40 g/mol
LogP2.80
Rot. Bonds3

About N-methyl-1-[1-(3-methylthiophen-2-yl)ethyl]piperidin-3-amine

N-methyl-1-[1-(3-methylthiophen-2-yl)ethyl]piperidin-3-amine (PubChem CID 63992505) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is N-methyl-1-[1-(3-methylthiophen-2-yl)ethyl]piperidin-3-amine.

Molecular Properties

Compound NameN-methyl-1-[1-(3-methylthiophen-2-yl)ethyl]piperidin-3-amine
PubChem CID63992505
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC NameN-methyl-1-[1-(3-methylthiophen-2-yl)ethyl]piperidin-3-amine
SMILESCNC1CCCN(C(C)c2sccc2C)C1
InChIInChI=1S/C13H22N2S/c1-10-6-8-16-13(10)11(2)15-7-4-5-12(9-15)14-3/h6,8,11-12,14H,4-5,7,9H2,1-3H3
InChIKeySCWMDRMMJIPLQR-UHFFFAOYSA-N
XLogP2.80
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-methyl-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]piperidin-3-amine
CID 129427482
3-[1-[1-(3-methylthiophen-2-yl)ethyl]piperidin-3-yl]butanoic acid
CID 81046465
N-[1-(3-methylthiophen-2-yl)ethyl]cyclopentanamine
CID 63992992
N-[[1-[1-(3-methylthiophen-2-yl)ethyl]piperidin-4-yl]methyl]ethanamine
CID 80551539
1-[1-(2-methoxy-5-methylphenyl)ethyl]-N-methylpiperidin-3-amine
CID 62534235
N-methyl-1-(3-methylbutan-2-yl)piperidin-3-amine
CID 62536720
1-[1-[4-(difluoromethoxy)phenyl]ethyl]-N-methylpiperidin-3-amine;hydrochloride
CID 119919002
2-[4-[1-(3-methylthiophen-2-yl)ethyl]piperazin-1-yl]propanoic acid
CID 65062707
1-[2-amino-1-(3-methylthiophen-2-yl)ethyl]-N-methylpiperidine-3-carboxamide
CID 103194728
N-[1-(3-methylthiophen-2-yl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 81298610
2-[3-(methylamino)piperidin-1-yl]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 119920391
N-methyl-1-[1-(1-methylbenzimidazol-2-yl)ethyl]piperidin-3-amine
CID 62536351

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(3-methylthiophen-2-yl)ethyl]piperidin-3-amine?
The IUPAC name of N-methyl-1-[1-(3-methylthiophen-2-yl)ethyl]piperidin-3-amine (CID 63992505) is N-methyl-1-[1-(3-methylthiophen-2-yl)ethyl]piperidin-3-amine.
What is the SMILES notation for N-methyl-1-[1-(3-methylthiophen-2-yl)ethyl]piperidin-3-amine?
The canonical SMILES for N-methyl-1-[1-(3-methylthiophen-2-yl)ethyl]piperidin-3-amine is CNC1CCCN(C(C)c2sccc2C)C1.
What is the InChIKey of N-methyl-1-[1-(3-methylthiophen-2-yl)ethyl]piperidin-3-amine?
The InChIKey is SCWMDRMMJIPLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-10-6-8-16-13(10)11(2)15-7-4-5-12(9-15)14-3/h6,8,11-12,14H,4-5,7,9H2,1-3H3.
What are the key properties of N-methyl-1-[1-(3-methylthiophen-2-yl)ethyl]piperidin-3-amine?
N-methyl-1-[1-(3-methylthiophen-2-yl)ethyl]piperidin-3-amine has a molecular weight of 238.40 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(3-methylthiophen-2-yl)ethyl]piperidin-3-amine is sourced from PubChem (CID 63992505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).