(R)-(5-bromo-4-methylthiophen-2-yl)-piperidin-4-ylmethanamine;hydrochloride

C11H18BrClN2S — CID 171314278

IUPAC(R)-(5-bromo-4-methylthiophen-2-yl)-piperidin-4-ylmethanamine;hydrochloride
SMILESCc1cc([C@H](N)C2CCNCC2)sc1Br.Cl
InChIInChI=1S/C11H17BrN2S.ClH/c1-7-6-9(15-11(7)12)10(13)8-2-4-14-5-3-8;/h6,8,10,14H,2-5,13H2,1H3;1H/t10-;/m1./s1
InChIKeyFXTYHLIIZIBMPF-HNCPQSOCSA-N
MW325.70 g/mol
LogP3.24
Rot. Bonds2

About (R)-(5-bromo-4-methylthiophen-2-yl)-piperidin-4-ylmethanamine;hydrochloride

(R)-(5-bromo-4-methylthiophen-2-yl)-piperidin-4-ylmethanamine;hydrochloride (PubChem CID 171314278) has the molecular formula C11H18BrClN2S and a molecular weight of 325.70 g/mol. Its IUPAC name is (R)-(5-bromo-4-methylthiophen-2-yl)-piperidin-4-ylmethanamine;hydrochloride.

Molecular Properties

Compound Name(R)-(5-bromo-4-methylthiophen-2-yl)-piperidin-4-ylmethanamine;hydrochloride
PubChem CID171314278
Molecular FormulaC11H18BrClN2S
Molecular Weight325.70 g/mol
Exact Mass324.01
IUPAC Name(R)-(5-bromo-4-methylthiophen-2-yl)-piperidin-4-ylmethanamine;hydrochloride
SMILESCc1cc([C@H](N)C2CCNCC2)sc1Br.Cl
InChIInChI=1S/C11H17BrN2S.ClH/c1-7-6-9(15-11(7)12)10(13)8-2-4-14-5-3-8;/h6,8,10,14H,2-5,13H2,1H3;1H/t10-;/m1./s1
InChIKeyFXTYHLIIZIBMPF-HNCPQSOCSA-N
XLogP3.24
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.70
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(R)-(5-bromo-4-methylthiophen-2-yl)-cyclopentylmethanamine;hydrochloride
CID 171203283
(5-bromo-4-methylthiophen-2-yl)-cyclobutylmethanamine
CID 79996891
(R)-(5-bromo-4-methylthiophen-2-yl)-cyclohexylmethanamine
CID 171203284
(S)-(5-bromo-4-methylthiophen-2-yl)-(oxan-4-yl)methanamine
CID 131603717
(4-bromothiophen-2-yl)-piperidin-4-ylmethanamine
CID 82307070
(1R)-1-(5-bromo-4-methylthiophen-2-yl)-2-cyclopropylethanamine;hydrochloride
CID 171203275
(1R)-1-(5-bromo-4-methylthiophen-2-yl)-2-cyclopropylethanamine
CID 130055202
(5-bromo-4-methylthiophen-2-yl)-(3-methylsulfonylcyclohexyl)methanamine
CID 105014349
(S)-cyclohexyl-(4,5-dibromothiophen-2-yl)methanamine;hydrochloride
CID 171235188
1-[(S)-(5-bromo-4-methylthiophen-2-yl)-(oxan-4-yl)methyl]piperazine
CID 171276314
cyclobutyl-(4,5-dibromothiophen-2-yl)methanamine
CID 80533020
cyclopentyl-(4,5-dimethylthiophen-2-yl)methanamine
CID 115778964

Frequently Asked Questions

What is the IUPAC name of (R)-(5-bromo-4-methylthiophen-2-yl)-piperidin-4-ylmethanamine;hydrochloride?
The IUPAC name of (R)-(5-bromo-4-methylthiophen-2-yl)-piperidin-4-ylmethanamine;hydrochloride (CID 171314278) is (R)-(5-bromo-4-methylthiophen-2-yl)-piperidin-4-ylmethanamine;hydrochloride.
What is the SMILES notation for (R)-(5-bromo-4-methylthiophen-2-yl)-piperidin-4-ylmethanamine;hydrochloride?
The canonical SMILES for (R)-(5-bromo-4-methylthiophen-2-yl)-piperidin-4-ylmethanamine;hydrochloride is Cc1cc([C@H](N)C2CCNCC2)sc1Br.Cl.
What is the InChIKey of (R)-(5-bromo-4-methylthiophen-2-yl)-piperidin-4-ylmethanamine;hydrochloride?
The InChIKey is FXTYHLIIZIBMPF-HNCPQSOCSA-N. The full InChI is InChI=1S/C11H17BrN2S.ClH/c1-7-6-9(15-11(7)12)10(13)8-2-4-14-5-3-8;/h6,8,10,14H,2-5,13H2,1H3;1H/t10-;/m1./s1.
What are the key properties of (R)-(5-bromo-4-methylthiophen-2-yl)-piperidin-4-ylmethanamine;hydrochloride?
(R)-(5-bromo-4-methylthiophen-2-yl)-piperidin-4-ylmethanamine;hydrochloride has a molecular weight of 325.70 g/mol, XLogP of 3.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(5-bromo-4-methylthiophen-2-yl)-piperidin-4-ylmethanamine;hydrochloride is sourced from PubChem (CID 171314278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).