[1-[(5-bromothiophen-3-yl)methyl]-4-methoxypiperidin-2-yl]methanamine

C12H19BrN2OS — CID 112622693

IUPAC[1-[(5-bromothiophen-3-yl)methyl]-4-methoxypiperidin-2-yl]methanamine
SMILESCOC1CCN(Cc2csc(Br)c2)C(CN)C1
InChIInChI=1S/C12H19BrN2OS/c1-16-11-2-3-15(10(5-11)6-14)7-9-4-12(13)17-8-9/h4,8,10-11H,2-3,5-7,14H2,1H3
InChIKeyDOHWPXOLYJNMTE-UHFFFAOYSA-N
MW319.27 g/mol
LogP2.45
Rot. Bonds4

About [1-[(5-bromothiophen-3-yl)methyl]-4-methoxypiperidin-2-yl]methanamine

[1-[(5-bromothiophen-3-yl)methyl]-4-methoxypiperidin-2-yl]methanamine (PubChem CID 112622693) has the molecular formula C12H19BrN2OS and a molecular weight of 319.27 g/mol. Its IUPAC name is [1-[(5-bromothiophen-3-yl)methyl]-4-methoxypiperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-[(5-bromothiophen-3-yl)methyl]-4-methoxypiperidin-2-yl]methanamine
PubChem CID112622693
Molecular FormulaC12H19BrN2OS
Molecular Weight319.27 g/mol
Exact Mass318.04
IUPAC Name[1-[(5-bromothiophen-3-yl)methyl]-4-methoxypiperidin-2-yl]methanamine
SMILESCOC1CCN(Cc2csc(Br)c2)C(CN)C1
InChIInChI=1S/C12H19BrN2OS/c1-16-11-2-3-15(10(5-11)6-14)7-9-4-12(13)17-8-9/h4,8,10-11H,2-3,5-7,14H2,1H3
InChIKeyDOHWPXOLYJNMTE-UHFFFAOYSA-N
XLogP2.45
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.27
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-[(5-bromothiophen-3-yl)methyl]-4-methoxypiperidin-2-yl]methanamine with MolForge

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Related Compounds

[1-[(4-bromo-3-fluorophenyl)methyl]-4-methoxypiperidin-2-yl]methanamine
CID 112621961
[4-methoxy-1-[(4-trimethylsilylphenyl)methyl]piperidin-2-yl]methanamine
CID 103438223
[4-methoxy-1-[(4-methoxy-3-methylphenyl)methyl]piperidin-2-yl]methanamine
CID 115963149
[1-[(2-bromo-5-fluorophenyl)methyl]-4-methoxypiperidin-2-yl]methanamine
CID 112622737
[1-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-4-methoxypiperidin-2-yl]methanamine;hydrochloride
CID 120843794
[1-(1-benzothiophen-3-ylmethyl)-4-methoxypiperidin-2-yl]methanamine
CID 115963060
1-[(5-bromothiophen-3-yl)methyl]-3-methoxyazetidine
CID 130703844
[1-[(3-fluoro-4-nitrophenyl)methyl]-4-methoxypiperidin-2-yl]methanamine
CID 115963575
[1-[[4-(cyclopropylmethoxy)phenyl]methyl]-4-methoxypiperidin-2-yl]methanamine;hydrochloride
CID 120843737
[1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-methoxypiperidin-2-yl]methanamine
CID 112622518
4-[[2-(aminomethyl)-4-methoxypiperidin-1-yl]methyl]-3-fluorobenzonitrile
CID 115963662
[4-methoxy-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidin-2-yl]methanamine
CID 115963754

Frequently Asked Questions

What is the IUPAC name of [1-[(5-bromothiophen-3-yl)methyl]-4-methoxypiperidin-2-yl]methanamine?
The IUPAC name of [1-[(5-bromothiophen-3-yl)methyl]-4-methoxypiperidin-2-yl]methanamine (CID 112622693) is [1-[(5-bromothiophen-3-yl)methyl]-4-methoxypiperidin-2-yl]methanamine.
What is the SMILES notation for [1-[(5-bromothiophen-3-yl)methyl]-4-methoxypiperidin-2-yl]methanamine?
The canonical SMILES for [1-[(5-bromothiophen-3-yl)methyl]-4-methoxypiperidin-2-yl]methanamine is COC1CCN(Cc2csc(Br)c2)C(CN)C1.
What is the InChIKey of [1-[(5-bromothiophen-3-yl)methyl]-4-methoxypiperidin-2-yl]methanamine?
The InChIKey is DOHWPXOLYJNMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2OS/c1-16-11-2-3-15(10(5-11)6-14)7-9-4-12(13)17-8-9/h4,8,10-11H,2-3,5-7,14H2,1H3.
What are the key properties of [1-[(5-bromothiophen-3-yl)methyl]-4-methoxypiperidin-2-yl]methanamine?
[1-[(5-bromothiophen-3-yl)methyl]-4-methoxypiperidin-2-yl]methanamine has a molecular weight of 319.27 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-bromothiophen-3-yl)methyl]-4-methoxypiperidin-2-yl]methanamine is sourced from PubChem (CID 112622693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).