1-[(3R)-3-(aminomethyl)piperidin-1-yl]-2-thiophen-2-ylethanone

C12H18N2OS — CID 28706496

IUPAC1-[(3R)-3-(aminomethyl)piperidin-1-yl]-2-thiophen-2-ylethanone
SMILESNC[C@H]1CCCN(C(=O)Cc2cccs2)C1
InChIInChI=1S/C12H18N2OS/c13-8-10-3-1-5-14(9-10)12(15)7-11-4-2-6-16-11/h2,4,6,10H,1,3,5,7-9,13H2/t10-/m1/s1
InChIKeyDEEGOXWXTZAFFA-SNVBAGLBSA-N
MW238.36 g/mol
LogP1.49
Rot. Bonds3

About 1-[(3R)-3-(aminomethyl)piperidin-1-yl]-2-thiophen-2-ylethanone

1-[(3R)-3-(aminomethyl)piperidin-1-yl]-2-thiophen-2-ylethanone (PubChem CID 28706496) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 1-[(3R)-3-(aminomethyl)piperidin-1-yl]-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-[(3R)-3-(aminomethyl)piperidin-1-yl]-2-thiophen-2-ylethanone
PubChem CID28706496
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name1-[(3R)-3-(aminomethyl)piperidin-1-yl]-2-thiophen-2-ylethanone
SMILESNC[C@H]1CCCN(C(=O)Cc2cccs2)C1
InChIInChI=1S/C12H18N2OS/c13-8-10-3-1-5-14(9-10)12(15)7-11-4-2-6-16-11/h2,4,6,10H,1,3,5,7-9,13H2/t10-/m1/s1
InChIKeyDEEGOXWXTZAFFA-SNVBAGLBSA-N
XLogP1.49
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(aminomethyl)piperidin-1-yl]-2-thiophen-2-ylethanone;hydrochloride
CID 119465007
2-[1-(2-thiophen-2-ylacetyl)piperidin-3-yl]acetic acid
CID 62690570
1-[(3R)-3-aminopyrrolidin-1-yl]-2-thiophen-2-ylethanone;hydrochloride
CID 119411974
1-[3-(ethoxymethyl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 110418083
1-[3-(1-hydroxycyclopropyl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 138380011
1-[3-(aminomethyl)piperidin-1-yl]-2-phenylethanone;hydrochloride
CID 119465087
1-[3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]-2-thiophen-2-ylethanone
CID 110103422
1-[3-(aminomethyl)pyrrolidin-1-yl]-6-thiophen-2-ylhexan-1-one
CID 119484105
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone
CID 81483813
1-(2-thiophen-2-ylacetyl)piperidine-3,4-dicarboxylic acid
CID 115918355
1-[3-[(3-methylphenoxy)methyl]piperidin-1-yl]-2-thiophen-2-ylethanone
CID 110638509
1-[3-(hydroxymethyl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 43422310

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-(aminomethyl)piperidin-1-yl]-2-thiophen-2-ylethanone?
The IUPAC name of 1-[(3R)-3-(aminomethyl)piperidin-1-yl]-2-thiophen-2-ylethanone (CID 28706496) is 1-[(3R)-3-(aminomethyl)piperidin-1-yl]-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-[(3R)-3-(aminomethyl)piperidin-1-yl]-2-thiophen-2-ylethanone?
The canonical SMILES for 1-[(3R)-3-(aminomethyl)piperidin-1-yl]-2-thiophen-2-ylethanone is NC[C@H]1CCCN(C(=O)Cc2cccs2)C1.
What is the InChIKey of 1-[(3R)-3-(aminomethyl)piperidin-1-yl]-2-thiophen-2-ylethanone?
The InChIKey is DEEGOXWXTZAFFA-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H18N2OS/c13-8-10-3-1-5-14(9-10)12(15)7-11-4-2-6-16-11/h2,4,6,10H,1,3,5,7-9,13H2/t10-/m1/s1.
What are the key properties of 1-[(3R)-3-(aminomethyl)piperidin-1-yl]-2-thiophen-2-ylethanone?
1-[(3R)-3-(aminomethyl)piperidin-1-yl]-2-thiophen-2-ylethanone has a molecular weight of 238.36 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-(aminomethyl)piperidin-1-yl]-2-thiophen-2-ylethanone is sourced from PubChem (CID 28706496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).