1-[(4-bromo-5-methylthiophen-2-yl)methyl]-4-methylpiperidin-3-amine

C12H19BrN2S — CID 102841673

IUPAC1-[(4-bromo-5-methylthiophen-2-yl)methyl]-4-methylpiperidin-3-amine
SMILESCc1sc(CN2CCC(C)C(N)C2)cc1Br
InChIInChI=1S/C12H19BrN2S/c1-8-3-4-15(7-12(8)14)6-10-5-11(13)9(2)16-10/h5,8,12H,3-4,6-7,14H2,1-2H3
InChIKeyKZLBBNVWKLRSHP-UHFFFAOYSA-N
MW303.27 g/mol
LogP2.99
Rot. Bonds2

About 1-[(4-bromo-5-methylthiophen-2-yl)methyl]-4-methylpiperidin-3-amine

1-[(4-bromo-5-methylthiophen-2-yl)methyl]-4-methylpiperidin-3-amine (PubChem CID 102841673) has the molecular formula C12H19BrN2S and a molecular weight of 303.27 g/mol. Its IUPAC name is 1-[(4-bromo-5-methylthiophen-2-yl)methyl]-4-methylpiperidin-3-amine.

Molecular Properties

Compound Name1-[(4-bromo-5-methylthiophen-2-yl)methyl]-4-methylpiperidin-3-amine
PubChem CID102841673
Molecular FormulaC12H19BrN2S
Molecular Weight303.27 g/mol
Exact Mass302.05
IUPAC Name1-[(4-bromo-5-methylthiophen-2-yl)methyl]-4-methylpiperidin-3-amine
SMILESCc1sc(CN2CCC(C)C(N)C2)cc1Br
InChIInChI=1S/C12H19BrN2S/c1-8-3-4-15(7-12(8)14)6-10-5-11(13)9(2)16-10/h5,8,12H,3-4,6-7,14H2,1-2H3
InChIKeyKZLBBNVWKLRSHP-UHFFFAOYSA-N
XLogP2.99
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-bromo-5-methylthiophen-2-yl)methyl]pyrrolidine-3-carboxylic acid
CID 102845084
(3S)-1-[(4-bromo-5-chlorothiophen-2-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120836308
[1-[(4,5-dimethylthiophen-2-yl)methyl]pyrrolidin-3-yl]methanamine
CID 65243540
(3S)-1-[(5-bromo-4-methylthiophen-2-yl)methyl]pyrrolidin-3-ol
CID 103882978
[1-[(4-bromo-5-methylthiophen-2-yl)methyl]piperidin-2-yl]methanamine
CID 102841560
4-methyl-1-[(5-methyl-2-pyridinyl)methyl]piperidin-3-amine
CID 81319689
4-methyl-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-amine
CID 79260870
(3R,4S)-3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-amine
CID 94247072
1-[(4-bromo-5-chlorothiophen-2-yl)methyl]piperidin-4-amine;hydrochloride
CID 120834456
1-[1-[(4,5-dibromothiophen-2-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 102841634
1-[(2,5-dimethylthiophen-3-yl)methyl]-4-methylpyrrolidin-3-amine
CID 103575263
5-[(4-bromo-5-methylthiophen-2-yl)methyl]-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 102841811

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromo-5-methylthiophen-2-yl)methyl]-4-methylpiperidin-3-amine?
The IUPAC name of 1-[(4-bromo-5-methylthiophen-2-yl)methyl]-4-methylpiperidin-3-amine (CID 102841673) is 1-[(4-bromo-5-methylthiophen-2-yl)methyl]-4-methylpiperidin-3-amine.
What is the SMILES notation for 1-[(4-bromo-5-methylthiophen-2-yl)methyl]-4-methylpiperidin-3-amine?
The canonical SMILES for 1-[(4-bromo-5-methylthiophen-2-yl)methyl]-4-methylpiperidin-3-amine is Cc1sc(CN2CCC(C)C(N)C2)cc1Br.
What is the InChIKey of 1-[(4-bromo-5-methylthiophen-2-yl)methyl]-4-methylpiperidin-3-amine?
The InChIKey is KZLBBNVWKLRSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2S/c1-8-3-4-15(7-12(8)14)6-10-5-11(13)9(2)16-10/h5,8,12H,3-4,6-7,14H2,1-2H3.
What are the key properties of 1-[(4-bromo-5-methylthiophen-2-yl)methyl]-4-methylpiperidin-3-amine?
1-[(4-bromo-5-methylthiophen-2-yl)methyl]-4-methylpiperidin-3-amine has a molecular weight of 303.27 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromo-5-methylthiophen-2-yl)methyl]-4-methylpiperidin-3-amine is sourced from PubChem (CID 102841673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).