N-[(5-bromothiophen-2-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride

C12H20BrClN2S — CID 119929707

IUPACN-[(5-bromothiophen-2-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride
SMILESCN(Cc1ccc(Br)s1)CC1CCCNC1.Cl
InChIInChI=1S/C12H19BrN2S.ClH/c1-15(8-10-3-2-6-14-7-10)9-11-4-5-12(13)16-11;/h4-5,10,14H,2-3,6-9H2,1H3;1H
InChIKeyXKQISBCXABOHEV-UHFFFAOYSA-N
MW339.73 g/mol
LogP3.36
Rot. Bonds4

About N-[(5-bromothiophen-2-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride

N-[(5-bromothiophen-2-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride (PubChem CID 119929707) has the molecular formula C12H20BrClN2S and a molecular weight of 339.73 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride
PubChem CID119929707
Molecular FormulaC12H20BrClN2S
Molecular Weight339.73 g/mol
Exact Mass338.02
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride
SMILESCN(Cc1ccc(Br)s1)CC1CCCNC1.Cl
InChIInChI=1S/C12H19BrN2S.ClH/c1-15(8-10-3-2-6-14-7-10)9-11-4-5-12(13)16-11;/h4-5,10,14H,2-3,6-9H2,1H3;1H
InChIKeyXKQISBCXABOHEV-UHFFFAOYSA-N
XLogP3.36
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.73
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromothiophen-2-yl)methyl]-N-methyl-1-piperidin-4-ylmethanamine;hydrochloride
CID 119929706
2-[(5-bromothiophen-2-yl)methyl-(piperidin-3-ylmethyl)amino]ethanol
CID 120851982
N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-pyrrolidin-3-ylethanamine
CID 115210815
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride
CID 71642202
N-[(5-bromothiophen-2-yl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride
CID 119923094
N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-piperidin-4-ylethanamine
CID 115211660
N-[(4-bromo-2-methylphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 120849544
N-[(2-bromo-4-pyridinyl)methyl]-N-methyl-1-[(3S)-piperidin-3-yl]methanamine
CID 97164520
N-[(2-bromo-4-pyridinyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 71642200
N-[(2,6-dichlorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 113267788
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 107124553
1-cyclohexyl-N-methyl-N-(piperidin-3-ylmethyl)methanamine;hydrochloride
CID 119930005

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride (CID 119929707) is N-[(5-bromothiophen-2-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride is CN(Cc1ccc(Br)s1)CC1CCCNC1.Cl.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride?
The InChIKey is XKQISBCXABOHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2S.ClH/c1-15(8-10-3-2-6-14-7-10)9-11-4-5-12(13)16-11;/h4-5,10,14H,2-3,6-9H2,1H3;1H.
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride?
N-[(5-bromothiophen-2-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride has a molecular weight of 339.73 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride is sourced from PubChem (CID 119929707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).