1-[4-(methoxymethyl)piperidin-1-yl]-1-thiophen-3-ylbutan-2-amine

C15H26N2OS — CID 63973621

IUPAC1-[4-(methoxymethyl)piperidin-1-yl]-1-thiophen-3-ylbutan-2-amine
SMILESCCC(N)C(c1ccsc1)N1CCC(COC)CC1
InChIInChI=1S/C15H26N2OS/c1-3-14(16)15(13-6-9-19-11-13)17-7-4-12(5-8-17)10-18-2/h6,9,11-12,14-15H,3-5,7-8,10,16H2,1-2H3
InChIKeyMJGSLHHJIMWMDN-UHFFFAOYSA-N
MW282.45 g/mol
LogP2.88
Rot. Bonds6

About 1-[4-(methoxymethyl)piperidin-1-yl]-1-thiophen-3-ylbutan-2-amine

1-[4-(methoxymethyl)piperidin-1-yl]-1-thiophen-3-ylbutan-2-amine (PubChem CID 63973621) has the molecular formula C15H26N2OS and a molecular weight of 282.45 g/mol. Its IUPAC name is 1-[4-(methoxymethyl)piperidin-1-yl]-1-thiophen-3-ylbutan-2-amine.

Molecular Properties

Compound Name1-[4-(methoxymethyl)piperidin-1-yl]-1-thiophen-3-ylbutan-2-amine
PubChem CID63973621
Molecular FormulaC15H26N2OS
Molecular Weight282.45 g/mol
Exact Mass282.18
IUPAC Name1-[4-(methoxymethyl)piperidin-1-yl]-1-thiophen-3-ylbutan-2-amine
SMILESCCC(N)C(c1ccsc1)N1CCC(COC)CC1
InChIInChI=1S/C15H26N2OS/c1-3-14(16)15(13-6-9-19-11-13)17-7-4-12(5-8-17)10-18-2/h6,9,11-12,14-15H,3-5,7-8,10,16H2,1-2H3
InChIKeyMJGSLHHJIMWMDN-UHFFFAOYSA-N
XLogP2.88
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-butan-2-ylpiperazin-1-yl)-1-thiophen-3-ylbutan-2-amine
CID 62772448
1-(1,3-dihydroisoindol-2-yl)-1-thiophen-3-ylbutan-2-amine
CID 62204273
1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1-thiophen-3-ylbutan-2-amine
CID 114462399
[1-(2-amino-1-thiophen-3-ylbutyl)-3-methylpyrrolidin-2-yl]methanol
CID 102777782
8-(2-amino-1-thiophen-3-ylbutyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 55243566
1-(3-methoxypyrrolidin-1-yl)-1-thiophen-3-ylpropan-2-amine
CID 103530823
1-(4-ethylpiperidin-1-yl)-1-thiophen-2-ylbutan-2-amine
CID 55021620
[1-(1-thiophen-3-ylethyl)piperidin-4-yl]methanamine
CID 62090353
1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-thiophen-3-ylbutan-2-amine
CID 79919730
1-(4-propylpiperidin-1-yl)-1-pyridin-4-ylbutan-2-amine
CID 62200154
1-cyclobutyloxy-1-thiophen-3-ylbutan-2-amine
CID 62116806
1-(1-thiophen-3-ylethyl)piperidin-4-amine
CID 62089674

Frequently Asked Questions

What is the IUPAC name of 1-[4-(methoxymethyl)piperidin-1-yl]-1-thiophen-3-ylbutan-2-amine?
The IUPAC name of 1-[4-(methoxymethyl)piperidin-1-yl]-1-thiophen-3-ylbutan-2-amine (CID 63973621) is 1-[4-(methoxymethyl)piperidin-1-yl]-1-thiophen-3-ylbutan-2-amine.
What is the SMILES notation for 1-[4-(methoxymethyl)piperidin-1-yl]-1-thiophen-3-ylbutan-2-amine?
The canonical SMILES for 1-[4-(methoxymethyl)piperidin-1-yl]-1-thiophen-3-ylbutan-2-amine is CCC(N)C(c1ccsc1)N1CCC(COC)CC1.
What is the InChIKey of 1-[4-(methoxymethyl)piperidin-1-yl]-1-thiophen-3-ylbutan-2-amine?
The InChIKey is MJGSLHHJIMWMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2OS/c1-3-14(16)15(13-6-9-19-11-13)17-7-4-12(5-8-17)10-18-2/h6,9,11-12,14-15H,3-5,7-8,10,16H2,1-2H3.
What are the key properties of 1-[4-(methoxymethyl)piperidin-1-yl]-1-thiophen-3-ylbutan-2-amine?
1-[4-(methoxymethyl)piperidin-1-yl]-1-thiophen-3-ylbutan-2-amine has a molecular weight of 282.45 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methoxymethyl)piperidin-1-yl]-1-thiophen-3-ylbutan-2-amine is sourced from PubChem (CID 63973621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).