[2-(aminomethyl)piperidin-1-yl]-(4,5-dimethylthiophen-2-yl)methanone;hydrochloride

C13H21ClN2OS — CID 119467051

IUPAC[2-(aminomethyl)piperidin-1-yl]-(4,5-dimethylthiophen-2-yl)methanone;hydrochloride
SMILESCc1cc(C(=O)N2CCCCC2CN)sc1C.Cl
InChIInChI=1S/C13H20N2OS.ClH/c1-9-7-12(17-10(9)2)13(16)15-6-4-3-5-11(15)8-14;/h7,11H,3-6,8,14H2,1-2H3;1H
InChIKeyXCBYUYRMZGDWSP-UHFFFAOYSA-N
MW288.84 g/mol
LogP2.74
Rot. Bonds2

About [2-(aminomethyl)piperidin-1-yl]-(4,5-dimethylthiophen-2-yl)methanone;hydrochloride

[2-(aminomethyl)piperidin-1-yl]-(4,5-dimethylthiophen-2-yl)methanone;hydrochloride (PubChem CID 119467051) has the molecular formula C13H21ClN2OS and a molecular weight of 288.84 g/mol. Its IUPAC name is [2-(aminomethyl)piperidin-1-yl]-(4,5-dimethylthiophen-2-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[2-(aminomethyl)piperidin-1-yl]-(4,5-dimethylthiophen-2-yl)methanone;hydrochloride
PubChem CID119467051
Molecular FormulaC13H21ClN2OS
Molecular Weight288.84 g/mol
Exact Mass288.11
IUPAC Name[2-(aminomethyl)piperidin-1-yl]-(4,5-dimethylthiophen-2-yl)methanone;hydrochloride
SMILESCc1cc(C(=O)N2CCCCC2CN)sc1C.Cl
InChIInChI=1S/C13H20N2OS.ClH/c1-9-7-12(17-10(9)2)13(16)15-6-4-3-5-11(15)8-14;/h7,11H,3-6,8,14H2,1-2H3;1H
InChIKeyXCBYUYRMZGDWSP-UHFFFAOYSA-N
XLogP2.74
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.84
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(4,5-dimethylthiophene-2-carbonyl)piperidin-2-yl]acetic acid
CID 54899329
5-[(2R)-2-(aminomethyl)piperidine-1-carbonyl]-2-methylthiophene-3-sulfonamide
CID 125420015
[2-(aminomethyl)-4-methylpiperazin-1-yl]-(4,5-dimethylthiophen-2-yl)methanone
CID 80504585
[2-(aminomethyl)piperidin-1-yl]-[4-(4-methoxyphenyl)-5-methylthiophen-2-yl]methanone
CID 119466117
[2-(aminomethyl)piperidin-1-yl]-(4-ethyl-5-propylthiophen-2-yl)methanone
CID 119467751
[2-(aminomethyl)piperidin-1-yl]-(2-methylphenyl)methanone;hydrochloride
CID 119466148
[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-[4-(4-fluorophenyl)-5-methylthiophen-2-yl]methanone
CID 124696499
[2-(aminomethyl)azepan-1-yl]-(2,4-dimethylphenyl)methanone
CID 116639963
[2-(aminomethyl)piperidin-1-yl]-[2-(dimethylamino)thieno[2,3-d][1,3]thiazol-5-yl]methanone;dihydrochloride
CID 119467833
[2-(aminomethyl)piperidin-1-yl]-(2,5-dichlorothiophen-3-yl)methanone;hydrochloride
CID 119467676
[2-(aminomethyl)piperidin-1-yl]-(2,4-difluoro-5-methylphenyl)methanone
CID 112701238
[(2R)-2-(aminomethyl)piperidin-1-yl]-(4-chloro-3-methylphenyl)methanone
CID 124576129

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)piperidin-1-yl]-(4,5-dimethylthiophen-2-yl)methanone;hydrochloride?
The IUPAC name of [2-(aminomethyl)piperidin-1-yl]-(4,5-dimethylthiophen-2-yl)methanone;hydrochloride (CID 119467051) is [2-(aminomethyl)piperidin-1-yl]-(4,5-dimethylthiophen-2-yl)methanone;hydrochloride.
What is the SMILES notation for [2-(aminomethyl)piperidin-1-yl]-(4,5-dimethylthiophen-2-yl)methanone;hydrochloride?
The canonical SMILES for [2-(aminomethyl)piperidin-1-yl]-(4,5-dimethylthiophen-2-yl)methanone;hydrochloride is Cc1cc(C(=O)N2CCCCC2CN)sc1C.Cl.
What is the InChIKey of [2-(aminomethyl)piperidin-1-yl]-(4,5-dimethylthiophen-2-yl)methanone;hydrochloride?
The InChIKey is XCBYUYRMZGDWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS.ClH/c1-9-7-12(17-10(9)2)13(16)15-6-4-3-5-11(15)8-14;/h7,11H,3-6,8,14H2,1-2H3;1H.
What are the key properties of [2-(aminomethyl)piperidin-1-yl]-(4,5-dimethylthiophen-2-yl)methanone;hydrochloride?
[2-(aminomethyl)piperidin-1-yl]-(4,5-dimethylthiophen-2-yl)methanone;hydrochloride has a molecular weight of 288.84 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)piperidin-1-yl]-(4,5-dimethylthiophen-2-yl)methanone;hydrochloride is sourced from PubChem (CID 119467051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).