1-[2-[1-(5-chlorothiophen-2-yl)ethylamino]ethyl]-N,N-dimethylpiperidin-4-amine

C15H26ClN3S — CID 75428499

IUPAC1-[2-[1-(5-chlorothiophen-2-yl)ethylamino]ethyl]-N,N-dimethylpiperidin-4-amine
SMILESCC(NCCN1CCC(N(C)C)CC1)c1ccc(Cl)s1
InChIInChI=1S/C15H26ClN3S/c1-12(14-4-5-15(16)20-14)17-8-11-19-9-6-13(7-10-19)18(2)3/h4-5,12-13,17H,6-11H2,1-3H3
InChIKeyZHRSXMYECVGGOJ-UHFFFAOYSA-N
MW315.91 g/mol
LogP3.08
Rot. Bonds6

About 1-[2-[1-(5-chlorothiophen-2-yl)ethylamino]ethyl]-N,N-dimethylpiperidin-4-amine

1-[2-[1-(5-chlorothiophen-2-yl)ethylamino]ethyl]-N,N-dimethylpiperidin-4-amine (PubChem CID 75428499) has the molecular formula C15H26ClN3S and a molecular weight of 315.91 g/mol. Its IUPAC name is 1-[2-[1-(5-chlorothiophen-2-yl)ethylamino]ethyl]-N,N-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[2-[1-(5-chlorothiophen-2-yl)ethylamino]ethyl]-N,N-dimethylpiperidin-4-amine
PubChem CID75428499
Molecular FormulaC15H26ClN3S
Molecular Weight315.91 g/mol
Exact Mass315.15
IUPAC Name1-[2-[1-(5-chlorothiophen-2-yl)ethylamino]ethyl]-N,N-dimethylpiperidin-4-amine
SMILESCC(NCCN1CCC(N(C)C)CC1)c1ccc(Cl)s1
InChIInChI=1S/C15H26ClN3S/c1-12(14-4-5-15(16)20-14)17-8-11-19-9-6-13(7-10-19)18(2)3/h4-5,12-13,17H,6-11H2,1-3H3
InChIKeyZHRSXMYECVGGOJ-UHFFFAOYSA-N
XLogP3.08
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.91
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(5-chlorothiophen-2-yl)ethylamino]ethyl]-N,N-dimethylpiperidin-4-amine?
The IUPAC name of 1-[2-[1-(5-chlorothiophen-2-yl)ethylamino]ethyl]-N,N-dimethylpiperidin-4-amine (CID 75428499) is 1-[2-[1-(5-chlorothiophen-2-yl)ethylamino]ethyl]-N,N-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[2-[1-(5-chlorothiophen-2-yl)ethylamino]ethyl]-N,N-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[2-[1-(5-chlorothiophen-2-yl)ethylamino]ethyl]-N,N-dimethylpiperidin-4-amine is CC(NCCN1CCC(N(C)C)CC1)c1ccc(Cl)s1.
What is the InChIKey of 1-[2-[1-(5-chlorothiophen-2-yl)ethylamino]ethyl]-N,N-dimethylpiperidin-4-amine?
The InChIKey is ZHRSXMYECVGGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26ClN3S/c1-12(14-4-5-15(16)20-14)17-8-11-19-9-6-13(7-10-19)18(2)3/h4-5,12-13,17H,6-11H2,1-3H3.
What are the key properties of 1-[2-[1-(5-chlorothiophen-2-yl)ethylamino]ethyl]-N,N-dimethylpiperidin-4-amine?
1-[2-[1-(5-chlorothiophen-2-yl)ethylamino]ethyl]-N,N-dimethylpiperidin-4-amine has a molecular weight of 315.91 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(5-chlorothiophen-2-yl)ethylamino]ethyl]-N,N-dimethylpiperidin-4-amine is sourced from PubChem (CID 75428499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).