(4-aminopiperidin-1-yl)-(3-methylthiophen-2-yl)methanone;hydrochloride

C11H17ClN2OS — CID 71638229

IUPAC(4-aminopiperidin-1-yl)-(3-methylthiophen-2-yl)methanone;hydrochloride
SMILESCc1ccsc1C(=O)N1CCC(N)CC1.Cl
InChIInChI=1S/C11H16N2OS.ClH/c1-8-4-7-15-10(8)11(14)13-5-2-9(12)3-6-13;/h4,7,9H,2-3,5-6,12H2,1H3;1H
InChIKeyJLVCTGMSYRWSDL-UHFFFAOYSA-N
MW260.79 g/mol
LogP2.04
Rot. Bonds1

About (4-aminopiperidin-1-yl)-(3-methylthiophen-2-yl)methanone;hydrochloride

(4-aminopiperidin-1-yl)-(3-methylthiophen-2-yl)methanone;hydrochloride (PubChem CID 71638229) has the molecular formula C11H17ClN2OS and a molecular weight of 260.79 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl)-(3-methylthiophen-2-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(4-aminopiperidin-1-yl)-(3-methylthiophen-2-yl)methanone;hydrochloride
PubChem CID71638229
Molecular FormulaC11H17ClN2OS
Molecular Weight260.79 g/mol
Exact Mass260.08
IUPAC Name(4-aminopiperidin-1-yl)-(3-methylthiophen-2-yl)methanone;hydrochloride
SMILESCc1ccsc1C(=O)N1CCC(N)CC1.Cl
InChIInChI=1S/C11H16N2OS.ClH/c1-8-4-7-15-10(8)11(14)13-5-2-9(12)3-6-13;/h4,7,9H,2-3,5-6,12H2,1H3;1H
InChIKeyJLVCTGMSYRWSDL-UHFFFAOYSA-N
XLogP2.04
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.79
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-aminopyrrolidin-1-yl)-(3-methylthiophen-2-yl)methanone;hydrochloride
CID 71638228
1-(3-methylthiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 24704942
2-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]acetic acid
CID 78980342
[4-(ethylaminomethyl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 80552627
(3-hydroxypyrrolidin-1-yl)-(3-methylthiophen-2-yl)methanone
CID 62916564
1-(3-methylthiophene-2-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 91954030
[4-(cyclopropylmethylamino)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 81483119
1-(3-methylthiophene-2-carbonyl)piperidin-4-one
CID 24696594
(4-aminopiperidin-1-yl)-(3-chloro-4-methylthiophen-2-yl)methanone
CID 103403494
1-(3-methylthiophene-2-carbonyl)-N-phenylpiperidine-4-carboxamide
CID 17395338
(4-methoxyphenyl)-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]methanone
CID 25473895
[4-[4-(2-aminoethyl)anilino]piperidin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 18173956

Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-1-yl)-(3-methylthiophen-2-yl)methanone;hydrochloride?
The IUPAC name of (4-aminopiperidin-1-yl)-(3-methylthiophen-2-yl)methanone;hydrochloride (CID 71638229) is (4-aminopiperidin-1-yl)-(3-methylthiophen-2-yl)methanone;hydrochloride.
What is the SMILES notation for (4-aminopiperidin-1-yl)-(3-methylthiophen-2-yl)methanone;hydrochloride?
The canonical SMILES for (4-aminopiperidin-1-yl)-(3-methylthiophen-2-yl)methanone;hydrochloride is Cc1ccsc1C(=O)N1CCC(N)CC1.Cl.
What is the InChIKey of (4-aminopiperidin-1-yl)-(3-methylthiophen-2-yl)methanone;hydrochloride?
The InChIKey is JLVCTGMSYRWSDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS.ClH/c1-8-4-7-15-10(8)11(14)13-5-2-9(12)3-6-13;/h4,7,9H,2-3,5-6,12H2,1H3;1H.
What are the key properties of (4-aminopiperidin-1-yl)-(3-methylthiophen-2-yl)methanone;hydrochloride?
(4-aminopiperidin-1-yl)-(3-methylthiophen-2-yl)methanone;hydrochloride has a molecular weight of 260.79 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopiperidin-1-yl)-(3-methylthiophen-2-yl)methanone;hydrochloride is sourced from PubChem (CID 71638229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).