[2-(1-aminoethyl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone;hydrochloride

C13H21ClN2OS — CID 119434857

IUPAC[2-(1-aminoethyl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone;hydrochloride
SMILESCc1ccsc1C(=O)N1CCCCC1C(C)N.Cl
InChIInChI=1S/C13H20N2OS.ClH/c1-9-6-8-17-12(9)13(16)15-7-4-3-5-11(15)10(2)14;/h6,8,10-11H,3-5,7,14H2,1-2H3;1H
InChIKeyKMBGGLOGUVNKMB-UHFFFAOYSA-N
MW288.84 g/mol
LogP2.82
Rot. Bonds2

About [2-(1-aminoethyl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone;hydrochloride

[2-(1-aminoethyl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone;hydrochloride (PubChem CID 119434857) has the molecular formula C13H21ClN2OS and a molecular weight of 288.84 g/mol. Its IUPAC name is [2-(1-aminoethyl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[2-(1-aminoethyl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone;hydrochloride
PubChem CID119434857
Molecular FormulaC13H21ClN2OS
Molecular Weight288.84 g/mol
Exact Mass288.11
IUPAC Name[2-(1-aminoethyl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone;hydrochloride
SMILESCc1ccsc1C(=O)N1CCCCC1C(C)N.Cl
InChIInChI=1S/C13H20N2OS.ClH/c1-9-6-8-17-12(9)13(16)15-7-4-3-5-11(15)10(2)14;/h6,8,10-11H,3-5,7,14H2,1-2H3;1H
InChIKeyKMBGGLOGUVNKMB-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(1-aminoethyl)piperidin-1-yl]-thieno[3,2-b]thiophen-5-ylmethanone
CID 80745111
[2-(1-aminoethyl)piperidin-1-yl]-(2,4-dimethylphenyl)methanone;hydrochloride
CID 119436172
[2-(1-hydroxyethyl)piperidin-1-yl]-(3-methoxythiophen-2-yl)methanone
CID 91660020
[2-(1-aminoethyl)piperidin-1-yl]-(3,5-dimethylfuran-2-yl)methanone;hydrochloride
CID 119435236
2-[1-(3-methylthiophene-2-carbonyl)piperidin-2-yl]acetic acid
CID 54899521
[(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-(4-methylthiophen-3-yl)methanone
CID 124516853
[2-(1-aminoethyl)piperidin-1-yl]-(4-propan-2-ylthiadiazol-5-yl)methanone
CID 65204638
[2-(1-aminoethyl)piperidin-1-yl]-(5-bromothiophen-2-yl)methanone
CID 55169920
[2-(1-aminoethyl)piperidin-1-yl]-(5-bromo-2-methylphenyl)methanone;hydrochloride
CID 119435193
4-[2-(1-aminoethyl)piperidine-1-carbonyl]-N,N-diethylbenzamide;hydrochloride
CID 119436878
[2-(1-aminoethyl)piperidin-1-yl]-(2-hydroxyphenyl)methanone
CID 63254989
[2-(1-aminoethyl)piperidin-1-yl]-(2-iodophenyl)methanone;hydrochloride
CID 119435517

Frequently Asked Questions

What is the IUPAC name of [2-(1-aminoethyl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone;hydrochloride?
The IUPAC name of [2-(1-aminoethyl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone;hydrochloride (CID 119434857) is [2-(1-aminoethyl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone;hydrochloride.
What is the SMILES notation for [2-(1-aminoethyl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone;hydrochloride?
The canonical SMILES for [2-(1-aminoethyl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone;hydrochloride is Cc1ccsc1C(=O)N1CCCCC1C(C)N.Cl.
What is the InChIKey of [2-(1-aminoethyl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone;hydrochloride?
The InChIKey is KMBGGLOGUVNKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS.ClH/c1-9-6-8-17-12(9)13(16)15-7-4-3-5-11(15)10(2)14;/h6,8,10-11H,3-5,7,14H2,1-2H3;1H.
What are the key properties of [2-(1-aminoethyl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone;hydrochloride?
[2-(1-aminoethyl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone;hydrochloride has a molecular weight of 288.84 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-aminoethyl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone;hydrochloride is sourced from PubChem (CID 119434857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).