[1-[(3-bromothiophen-2-yl)methyl]-3-methylpiperidin-2-yl]methanamine;hydrochloride

C12H20BrClN2S — CID 119925979

IUPAC[1-[(3-bromothiophen-2-yl)methyl]-3-methylpiperidin-2-yl]methanamine;hydrochloride
SMILESCC1CCCN(Cc2sccc2Br)C1CN.Cl
InChIInChI=1S/C12H19BrN2S.ClH/c1-9-3-2-5-15(11(9)7-14)8-12-10(13)4-6-16-12;/h4,6,9,11H,2-3,5,7-8,14H2,1H3;1H
InChIKeyVREOWFLIAPOUKN-UHFFFAOYSA-N
MW339.73 g/mol
LogP3.49
Rot. Bonds3

About [1-[(3-bromothiophen-2-yl)methyl]-3-methylpiperidin-2-yl]methanamine;hydrochloride

[1-[(3-bromothiophen-2-yl)methyl]-3-methylpiperidin-2-yl]methanamine;hydrochloride (PubChem CID 119925979) has the molecular formula C12H20BrClN2S and a molecular weight of 339.73 g/mol. Its IUPAC name is [1-[(3-bromothiophen-2-yl)methyl]-3-methylpiperidin-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-[(3-bromothiophen-2-yl)methyl]-3-methylpiperidin-2-yl]methanamine;hydrochloride
PubChem CID119925979
Molecular FormulaC12H20BrClN2S
Molecular Weight339.73 g/mol
Exact Mass338.02
IUPAC Name[1-[(3-bromothiophen-2-yl)methyl]-3-methylpiperidin-2-yl]methanamine;hydrochloride
SMILESCC1CCCN(Cc2sccc2Br)C1CN.Cl
InChIInChI=1S/C12H19BrN2S.ClH/c1-9-3-2-5-15(11(9)7-14)8-12-10(13)4-6-16-12;/h4,6,9,11H,2-3,5,7-8,14H2,1H3;1H
InChIKeyVREOWFLIAPOUKN-UHFFFAOYSA-N
XLogP3.49
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.73
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[(3-bromothiophen-2-yl)methyl]-3-methylpiperidin-2-yl]methanamine;hydrochloride?
The IUPAC name of [1-[(3-bromothiophen-2-yl)methyl]-3-methylpiperidin-2-yl]methanamine;hydrochloride (CID 119925979) is [1-[(3-bromothiophen-2-yl)methyl]-3-methylpiperidin-2-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-[(3-bromothiophen-2-yl)methyl]-3-methylpiperidin-2-yl]methanamine;hydrochloride?
The canonical SMILES for [1-[(3-bromothiophen-2-yl)methyl]-3-methylpiperidin-2-yl]methanamine;hydrochloride is CC1CCCN(Cc2sccc2Br)C1CN.Cl.
What is the InChIKey of [1-[(3-bromothiophen-2-yl)methyl]-3-methylpiperidin-2-yl]methanamine;hydrochloride?
The InChIKey is VREOWFLIAPOUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2S.ClH/c1-9-3-2-5-15(11(9)7-14)8-12-10(13)4-6-16-12;/h4,6,9,11H,2-3,5,7-8,14H2,1H3;1H.
What are the key properties of [1-[(3-bromothiophen-2-yl)methyl]-3-methylpiperidin-2-yl]methanamine;hydrochloride?
[1-[(3-bromothiophen-2-yl)methyl]-3-methylpiperidin-2-yl]methanamine;hydrochloride has a molecular weight of 339.73 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-bromothiophen-2-yl)methyl]-3-methylpiperidin-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 119925979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).