1-(2-amino-2-thiophen-2-ylethyl)-N,N-dimethylpiperidin-4-amine

C13H23N3S — CID 113279390

IUPAC1-(2-amino-2-thiophen-2-ylethyl)-N,N-dimethylpiperidin-4-amine
SMILESCN(C)C1CCN(CC(N)c2cccs2)CC1
InChIInChI=1S/C13H23N3S/c1-15(2)11-5-7-16(8-6-11)10-12(14)13-4-3-9-17-13/h3-4,9,11-12H,5-8,10,14H2,1-2H3
InChIKeyPCQZCJRSXAHXGV-UHFFFAOYSA-N
MW253.41 g/mol
LogP1.77
Rot. Bonds4

About 1-(2-amino-2-thiophen-2-ylethyl)-N,N-dimethylpiperidin-4-amine

1-(2-amino-2-thiophen-2-ylethyl)-N,N-dimethylpiperidin-4-amine (PubChem CID 113279390) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is 1-(2-amino-2-thiophen-2-ylethyl)-N,N-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-(2-amino-2-thiophen-2-ylethyl)-N,N-dimethylpiperidin-4-amine
PubChem CID113279390
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC Name1-(2-amino-2-thiophen-2-ylethyl)-N,N-dimethylpiperidin-4-amine
SMILESCN(C)C1CCN(CC(N)c2cccs2)CC1
InChIInChI=1S/C13H23N3S/c1-15(2)11-5-7-16(8-6-11)10-12(14)13-4-3-9-17-13/h3-4,9,11-12H,5-8,10,14H2,1-2H3
InChIKeyPCQZCJRSXAHXGV-UHFFFAOYSA-N
XLogP1.77
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-thiophen-2-ylethyl)-N,N-dimethylpiperidin-4-amine?
The IUPAC name of 1-(2-amino-2-thiophen-2-ylethyl)-N,N-dimethylpiperidin-4-amine (CID 113279390) is 1-(2-amino-2-thiophen-2-ylethyl)-N,N-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-(2-amino-2-thiophen-2-ylethyl)-N,N-dimethylpiperidin-4-amine?
The canonical SMILES for 1-(2-amino-2-thiophen-2-ylethyl)-N,N-dimethylpiperidin-4-amine is CN(C)C1CCN(CC(N)c2cccs2)CC1.
What is the InChIKey of 1-(2-amino-2-thiophen-2-ylethyl)-N,N-dimethylpiperidin-4-amine?
The InChIKey is PCQZCJRSXAHXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-15(2)11-5-7-16(8-6-11)10-12(14)13-4-3-9-17-13/h3-4,9,11-12H,5-8,10,14H2,1-2H3.
What are the key properties of 1-(2-amino-2-thiophen-2-ylethyl)-N,N-dimethylpiperidin-4-amine?
1-(2-amino-2-thiophen-2-ylethyl)-N,N-dimethylpiperidin-4-amine has a molecular weight of 253.41 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-thiophen-2-ylethyl)-N,N-dimethylpiperidin-4-amine is sourced from PubChem (CID 113279390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).