[3-(2-aminoethyl)piperidin-1-yl]-(4,5-dimethylthiophen-2-yl)methanone

C14H22N2OS — CID 65238887

IUPAC[3-(2-aminoethyl)piperidin-1-yl]-(4,5-dimethylthiophen-2-yl)methanone
SMILESCc1cc(C(=O)N2CCCC(CCN)C2)sc1C
InChIInChI=1S/C14H22N2OS/c1-10-8-13(18-11(10)2)14(17)16-7-3-4-12(9-16)5-6-15/h8,12H,3-7,9,15H2,1-2H3
InChIKeyCYMYINAOIKIAAU-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.57
Rot. Bonds3

About [3-(2-aminoethyl)piperidin-1-yl]-(4,5-dimethylthiophen-2-yl)methanone

[3-(2-aminoethyl)piperidin-1-yl]-(4,5-dimethylthiophen-2-yl)methanone (PubChem CID 65238887) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is [3-(2-aminoethyl)piperidin-1-yl]-(4,5-dimethylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[3-(2-aminoethyl)piperidin-1-yl]-(4,5-dimethylthiophen-2-yl)methanone
PubChem CID65238887
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name[3-(2-aminoethyl)piperidin-1-yl]-(4,5-dimethylthiophen-2-yl)methanone
SMILESCc1cc(C(=O)N2CCCC(CCN)C2)sc1C
InChIInChI=1S/C14H22N2OS/c1-10-8-13(18-11(10)2)14(17)16-7-3-4-12(9-16)5-6-15/h8,12H,3-7,9,15H2,1-2H3
InChIKeyCYMYINAOIKIAAU-UHFFFAOYSA-N
XLogP2.57
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4,5-dimethylthiophene-2-carbonyl)-3-[(sulfamoylamino)methyl]piperidine
CID 64722138
[3-(2-aminoethyl)piperidin-1-yl]-(2,4,6-trimethylphenyl)methanone
CID 63765556
[3-(2-aminoethyl)piperidin-1-yl]-(1-benzothiophen-2-yl)methanone;hydrochloride
CID 120727554
[3-(2-aminoethyl)piperidin-1-yl]-(3,4-dimethylphenyl)methanone
CID 63767469
[3-(2-aminoethyl)piperidin-1-yl]-(2,4-difluoro-5-methylphenyl)methanone;hydrochloride
CID 120727536
[3-(2-aminoethyl)piperidin-1-yl]-(2,5-dibromothiophen-3-yl)methanone
CID 114021489
[3-(2-aminoethyl)piperidin-1-yl]-(5-fluoro-2-methylphenyl)methanone
CID 63765748
(5-bromo-4-methylthiophen-2-yl)-[3-(chloromethyl)piperidin-1-yl]methanone
CID 79996780
[3-(2-aminoethyl)piperidin-1-yl]-(2-chloro-5-fluoro-4-methylphenyl)methanone
CID 117044955
[3-(2-hydroxyethyl)piperidin-1-yl]-[5-(3-hydroxyprop-1-ynyl)-4-methylthiophen-2-yl]methanone
CID 107228516
[4-(2-aminoethyl)piperidin-1-yl]-(5-bromo-4-methylthiophen-2-yl)methanone
CID 79997411
2-[1-(4-ethyl-5-methylthiophene-2-carbonyl)piperidin-3-yl]acetic acid
CID 62689218

Frequently Asked Questions

What is the IUPAC name of [3-(2-aminoethyl)piperidin-1-yl]-(4,5-dimethylthiophen-2-yl)methanone?
The IUPAC name of [3-(2-aminoethyl)piperidin-1-yl]-(4,5-dimethylthiophen-2-yl)methanone (CID 65238887) is [3-(2-aminoethyl)piperidin-1-yl]-(4,5-dimethylthiophen-2-yl)methanone.
What is the SMILES notation for [3-(2-aminoethyl)piperidin-1-yl]-(4,5-dimethylthiophen-2-yl)methanone?
The canonical SMILES for [3-(2-aminoethyl)piperidin-1-yl]-(4,5-dimethylthiophen-2-yl)methanone is Cc1cc(C(=O)N2CCCC(CCN)C2)sc1C.
What is the InChIKey of [3-(2-aminoethyl)piperidin-1-yl]-(4,5-dimethylthiophen-2-yl)methanone?
The InChIKey is CYMYINAOIKIAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-10-8-13(18-11(10)2)14(17)16-7-3-4-12(9-16)5-6-15/h8,12H,3-7,9,15H2,1-2H3.
What are the key properties of [3-(2-aminoethyl)piperidin-1-yl]-(4,5-dimethylthiophen-2-yl)methanone?
[3-(2-aminoethyl)piperidin-1-yl]-(4,5-dimethylthiophen-2-yl)methanone has a molecular weight of 266.41 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-aminoethyl)piperidin-1-yl]-(4,5-dimethylthiophen-2-yl)methanone is sourced from PubChem (CID 65238887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).