[4-methoxy-1-(2-thiophen-2-ylethyl)piperidin-2-yl]methanamine

C13H22N2OS — CID 112622527

IUPAC[4-methoxy-1-(2-thiophen-2-ylethyl)piperidin-2-yl]methanamine
SMILESCOC1CCN(CCc2cccs2)C(CN)C1
InChIInChI=1S/C13H22N2OS/c1-16-12-4-6-15(11(9-12)10-14)7-5-13-3-2-8-17-13/h2-3,8,11-12H,4-7,9-10,14H2,1H3
InChIKeyHSESENVWYLMGPE-UHFFFAOYSA-N
MW254.40 g/mol
LogP1.73
Rot. Bonds5

About [4-methoxy-1-(2-thiophen-2-ylethyl)piperidin-2-yl]methanamine

[4-methoxy-1-(2-thiophen-2-ylethyl)piperidin-2-yl]methanamine (PubChem CID 112622527) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is [4-methoxy-1-(2-thiophen-2-ylethyl)piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[4-methoxy-1-(2-thiophen-2-ylethyl)piperidin-2-yl]methanamine
PubChem CID112622527
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name[4-methoxy-1-(2-thiophen-2-ylethyl)piperidin-2-yl]methanamine
SMILESCOC1CCN(CCc2cccs2)C(CN)C1
InChIInChI=1S/C13H22N2OS/c1-16-12-4-6-15(11(9-12)10-14)7-5-13-3-2-8-17-13/h2-3,8,11-12H,4-7,9-10,14H2,1H3
InChIKeyHSESENVWYLMGPE-UHFFFAOYSA-N
XLogP1.73
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S,4R)-2-(aminomethyl)-4-methoxypiperidin-1-yl]-2-thiophen-2-ylethanone
CID 99714963
(4-methoxy-1-nonylpiperidin-2-yl)methanamine
CID 112622577
[1-(1-benzothiophen-3-ylmethyl)-4-methoxypiperidin-2-yl]methanamine
CID 115963060
[4-methoxy-1-[(4-trimethylsilylphenyl)methyl]piperidin-2-yl]methanamine
CID 103438223
[1-[2-(3-bromophenoxy)ethyl]-4-methoxypiperidin-2-yl]methanamine
CID 115963795
[1-[2-(3,5-dimethylphenoxy)ethyl]-4-methoxypiperidin-2-yl]methanamine
CID 115963611
[4-methoxy-1-(4,4,4-trifluorobutyl)piperidin-2-yl]methanamine
CID 112622508
2-(chloromethyl)-1-(2-thiophen-2-ylethyl)piperidine
CID 63775037
[1-[(5-bromothiophen-3-yl)methyl]-4-methoxypiperidin-2-yl]methanamine
CID 112622693
ethyl 1-(2-thiophen-2-ylethyl)pyrrolidine-2-carboxylate
CID 55236129
2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide
CID 115963661
2-(2-methylpropyl)-1-(2-thiophen-2-ylethyl)piperazine
CID 64846847

Frequently Asked Questions

What is the IUPAC name of [4-methoxy-1-(2-thiophen-2-ylethyl)piperidin-2-yl]methanamine?
The IUPAC name of [4-methoxy-1-(2-thiophen-2-ylethyl)piperidin-2-yl]methanamine (CID 112622527) is [4-methoxy-1-(2-thiophen-2-ylethyl)piperidin-2-yl]methanamine.
What is the SMILES notation for [4-methoxy-1-(2-thiophen-2-ylethyl)piperidin-2-yl]methanamine?
The canonical SMILES for [4-methoxy-1-(2-thiophen-2-ylethyl)piperidin-2-yl]methanamine is COC1CCN(CCc2cccs2)C(CN)C1.
What is the InChIKey of [4-methoxy-1-(2-thiophen-2-ylethyl)piperidin-2-yl]methanamine?
The InChIKey is HSESENVWYLMGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-16-12-4-6-15(11(9-12)10-14)7-5-13-3-2-8-17-13/h2-3,8,11-12H,4-7,9-10,14H2,1H3.
What are the key properties of [4-methoxy-1-(2-thiophen-2-ylethyl)piperidin-2-yl]methanamine?
[4-methoxy-1-(2-thiophen-2-ylethyl)piperidin-2-yl]methanamine has a molecular weight of 254.40 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-1-(2-thiophen-2-ylethyl)piperidin-2-yl]methanamine is sourced from PubChem (CID 112622527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).