1-[(2S,4R)-2-(aminomethyl)-4-methoxypiperidin-1-yl]-2-thiophen-2-ylethanone

C13H20N2O2S — CID 99714963

IUPAC1-[(2S,4R)-2-(aminomethyl)-4-methoxypiperidin-1-yl]-2-thiophen-2-ylethanone
SMILESCO[C@@H]1CCN(C(=O)Cc2cccs2)[C@H](CN)C1
InChIInChI=1S/C13H20N2O2S/c1-17-11-4-5-15(10(7-11)9-14)13(16)8-12-3-2-6-18-12/h2-3,6,10-11H,4-5,7-9,14H2,1H3/t10-,11+/m0/s1
InChIKeyUKLNDPHLDGONKK-WDEREUQCSA-N
MW268.38 g/mol
LogP1.26
Rot. Bonds4

About 1-[(2S,4R)-2-(aminomethyl)-4-methoxypiperidin-1-yl]-2-thiophen-2-ylethanone

1-[(2S,4R)-2-(aminomethyl)-4-methoxypiperidin-1-yl]-2-thiophen-2-ylethanone (PubChem CID 99714963) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 1-[(2S,4R)-2-(aminomethyl)-4-methoxypiperidin-1-yl]-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-[(2S,4R)-2-(aminomethyl)-4-methoxypiperidin-1-yl]-2-thiophen-2-ylethanone
PubChem CID99714963
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name1-[(2S,4R)-2-(aminomethyl)-4-methoxypiperidin-1-yl]-2-thiophen-2-ylethanone
SMILESCO[C@@H]1CCN(C(=O)Cc2cccs2)[C@H](CN)C1
InChIInChI=1S/C13H20N2O2S/c1-17-11-4-5-15(10(7-11)9-14)13(16)8-12-3-2-6-18-12/h2-3,6,10-11H,4-5,7-9,14H2,1H3/t10-,11+/m0/s1
InChIKeyUKLNDPHLDGONKK-WDEREUQCSA-N
XLogP1.26
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(aminomethyl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone
CID 81483813
1-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-2-(2-hydroxyphenyl)ethanone
CID 115963360
[4-methoxy-1-(2-thiophen-2-ylethyl)piperidin-2-yl]methanamine
CID 112622527
1-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-3-phenoxypropan-1-one
CID 115963342
1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-4-thiophen-2-ylbutan-1-one
CID 103352144
1-[2-(aminomethyl)-4-methoxypiperidin-1-yl]ethanone
CID 112622267
1-[2-(aminomethyl)-4-methoxypiperidin-1-yl]but-3-en-1-one
CID 112622247
1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone
CID 39086648
[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 112622381
[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(5-methylthiophen-2-yl)methanone;hydrochloride
CID 119033810
2-(aminomethyl)-4-methoxy-N-methylpiperidine-1-carboxamide
CID 112622411
1-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-2,2-dimethylpropan-1-one
CID 112622266

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,4R)-2-(aminomethyl)-4-methoxypiperidin-1-yl]-2-thiophen-2-ylethanone?
The IUPAC name of 1-[(2S,4R)-2-(aminomethyl)-4-methoxypiperidin-1-yl]-2-thiophen-2-ylethanone (CID 99714963) is 1-[(2S,4R)-2-(aminomethyl)-4-methoxypiperidin-1-yl]-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-[(2S,4R)-2-(aminomethyl)-4-methoxypiperidin-1-yl]-2-thiophen-2-ylethanone?
The canonical SMILES for 1-[(2S,4R)-2-(aminomethyl)-4-methoxypiperidin-1-yl]-2-thiophen-2-ylethanone is CO[C@@H]1CCN(C(=O)Cc2cccs2)[C@H](CN)C1.
What is the InChIKey of 1-[(2S,4R)-2-(aminomethyl)-4-methoxypiperidin-1-yl]-2-thiophen-2-ylethanone?
The InChIKey is UKLNDPHLDGONKK-WDEREUQCSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-17-11-4-5-15(10(7-11)9-14)13(16)8-12-3-2-6-18-12/h2-3,6,10-11H,4-5,7-9,14H2,1H3/t10-,11+/m0/s1.
What are the key properties of 1-[(2S,4R)-2-(aminomethyl)-4-methoxypiperidin-1-yl]-2-thiophen-2-ylethanone?
1-[(2S,4R)-2-(aminomethyl)-4-methoxypiperidin-1-yl]-2-thiophen-2-ylethanone has a molecular weight of 268.38 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,4R)-2-(aminomethyl)-4-methoxypiperidin-1-yl]-2-thiophen-2-ylethanone is sourced from PubChem (CID 99714963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).