1-[2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]ethyl]-N,N-dimethylpiperidin-4-amine

C17H31N3S — CID 75428556

IUPAC1-[2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]ethyl]-N,N-dimethylpiperidin-4-amine
SMILESCc1cc(C(C)NCCN2CCC(N(C)C)CC2)c(C)s1
InChIInChI=1S/C17H31N3S/c1-13-12-17(15(3)21-13)14(2)18-8-11-20-9-6-16(7-10-20)19(4)5/h12,14,16,18H,6-11H2,1-5H3
InChIKeyUVXCWANFYWUVHH-UHFFFAOYSA-N
MW309.52 g/mol
LogP3.04
Rot. Bonds6

About 1-[2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]ethyl]-N,N-dimethylpiperidin-4-amine

1-[2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]ethyl]-N,N-dimethylpiperidin-4-amine (PubChem CID 75428556) has the molecular formula C17H31N3S and a molecular weight of 309.52 g/mol. Its IUPAC name is 1-[2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]ethyl]-N,N-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]ethyl]-N,N-dimethylpiperidin-4-amine
PubChem CID75428556
Molecular FormulaC17H31N3S
Molecular Weight309.52 g/mol
Exact Mass309.22
IUPAC Name1-[2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]ethyl]-N,N-dimethylpiperidin-4-amine
SMILESCc1cc(C(C)NCCN2CCC(N(C)C)CC2)c(C)s1
InChIInChI=1S/C17H31N3S/c1-13-12-17(15(3)21-13)14(2)18-8-11-20-9-6-16(7-10-20)19(4)5/h12,14,16,18H,6-11H2,1-5H3
InChIKeyUVXCWANFYWUVHH-UHFFFAOYSA-N
XLogP3.04
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.52
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]ethyl]-N,N-dimethylpiperidin-4-amine?
The IUPAC name of 1-[2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]ethyl]-N,N-dimethylpiperidin-4-amine (CID 75428556) is 1-[2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]ethyl]-N,N-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]ethyl]-N,N-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]ethyl]-N,N-dimethylpiperidin-4-amine is Cc1cc(C(C)NCCN2CCC(N(C)C)CC2)c(C)s1.
What is the InChIKey of 1-[2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]ethyl]-N,N-dimethylpiperidin-4-amine?
The InChIKey is UVXCWANFYWUVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3S/c1-13-12-17(15(3)21-13)14(2)18-8-11-20-9-6-16(7-10-20)19(4)5/h12,14,16,18H,6-11H2,1-5H3.
What are the key properties of 1-[2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]ethyl]-N,N-dimethylpiperidin-4-amine?
1-[2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]ethyl]-N,N-dimethylpiperidin-4-amine has a molecular weight of 309.52 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]ethyl]-N,N-dimethylpiperidin-4-amine is sourced from PubChem (CID 75428556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).