1-[(3-bromothiophen-2-yl)methyl]-4-(methoxymethyl)piperidine

C12H18BrNOS — CID 63973135

IUPAC1-[(3-bromothiophen-2-yl)methyl]-4-(methoxymethyl)piperidine
SMILESCOCC1CCN(Cc2sccc2Br)CC1
InChIInChI=1S/C12H18BrNOS/c1-15-9-10-2-5-14(6-3-10)8-12-11(13)4-7-16-12/h4,7,10H,2-3,5-6,8-9H2,1H3
InChIKeyIDVXWKIOGCHMTI-UHFFFAOYSA-N
MW304.25 g/mol
LogP3.37
Rot. Bonds4

About 1-[(3-bromothiophen-2-yl)methyl]-4-(methoxymethyl)piperidine

1-[(3-bromothiophen-2-yl)methyl]-4-(methoxymethyl)piperidine (PubChem CID 63973135) has the molecular formula C12H18BrNOS and a molecular weight of 304.25 g/mol. Its IUPAC name is 1-[(3-bromothiophen-2-yl)methyl]-4-(methoxymethyl)piperidine.

Molecular Properties

Compound Name1-[(3-bromothiophen-2-yl)methyl]-4-(methoxymethyl)piperidine
PubChem CID63973135
Molecular FormulaC12H18BrNOS
Molecular Weight304.25 g/mol
Exact Mass303.03
IUPAC Name1-[(3-bromothiophen-2-yl)methyl]-4-(methoxymethyl)piperidine
SMILESCOCC1CCN(Cc2sccc2Br)CC1
InChIInChI=1S/C12H18BrNOS/c1-15-9-10-2-5-14(6-3-10)8-12-11(13)4-7-16-12/h4,7,10H,2-3,5-6,8-9H2,1H3
InChIKeyIDVXWKIOGCHMTI-UHFFFAOYSA-N
XLogP3.37
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.25
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-bromothiophen-2-yl)methyl]-N,N-dimethylpyrrolidin-3-amine
CID 55219166
3-[[4-(methoxymethyl)piperidin-1-yl]methyl]thiophene-2-carboxylic acid
CID 63973293
3-[1-[(3-bromothiophen-2-yl)methyl]piperidin-4-yl]oxypropan-1-amine
CID 79736578
(3R)-1-[(3-bromothiophen-2-yl)methyl]piperidin-3-amine
CID 102977246
1-[(3-bromothiophen-2-yl)methyl]-4-ethylpyrrolidin-3-ol
CID 130871464
1-[(3-bromothiophen-2-yl)methyl]-N-methylpiperidin-3-amine
CID 62546532
3-bromo-4-[[4-(methoxymethyl)piperidin-1-yl]methyl]benzoic acid
CID 102767768
1-[(3-bromothiophen-2-yl)methyl]-N,4-dimethylpiperidin-4-amine
CID 115305374
1-[(3-bromothiophen-2-yl)methyl]-N-methylpiperidin-3-amine;hydrochloride
CID 119918697
2-[[4-(methoxymethyl)piperidin-1-yl]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 63972968
2-[4-[(3-bromothiophen-2-yl)methyl]piperazin-1-yl]-2-methylpropanenitrile
CID 63340306
1-[(3-bromothiophen-2-yl)methyl]-4-(4-chlorophenyl)piperazine
CID 63464192

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromothiophen-2-yl)methyl]-4-(methoxymethyl)piperidine?
The IUPAC name of 1-[(3-bromothiophen-2-yl)methyl]-4-(methoxymethyl)piperidine (CID 63973135) is 1-[(3-bromothiophen-2-yl)methyl]-4-(methoxymethyl)piperidine.
What is the SMILES notation for 1-[(3-bromothiophen-2-yl)methyl]-4-(methoxymethyl)piperidine?
The canonical SMILES for 1-[(3-bromothiophen-2-yl)methyl]-4-(methoxymethyl)piperidine is COCC1CCN(Cc2sccc2Br)CC1.
What is the InChIKey of 1-[(3-bromothiophen-2-yl)methyl]-4-(methoxymethyl)piperidine?
The InChIKey is IDVXWKIOGCHMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNOS/c1-15-9-10-2-5-14(6-3-10)8-12-11(13)4-7-16-12/h4,7,10H,2-3,5-6,8-9H2,1H3.
What are the key properties of 1-[(3-bromothiophen-2-yl)methyl]-4-(methoxymethyl)piperidine?
1-[(3-bromothiophen-2-yl)methyl]-4-(methoxymethyl)piperidine has a molecular weight of 304.25 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromothiophen-2-yl)methyl]-4-(methoxymethyl)piperidine is sourced from PubChem (CID 63973135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).