1,3-dimethyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)piperidin-4-amine

C16H23N3S — CID 115717630

IUPAC1,3-dimethyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)piperidin-4-amine
SMILESCC(NC1CCN(C)CC1C)c1cnc2ccsc2c1
InChIInChI=1S/C16H23N3S/c1-11-10-19(3)6-4-14(11)18-12(2)13-8-16-15(17-9-13)5-7-20-16/h5,7-9,11-12,14,18H,4,6,10H2,1-3H3
InChIKeyFDZSNNMBHXPFNM-UHFFFAOYSA-N
MW289.45 g/mol
LogP3.29
Rot. Bonds3

About 1,3-dimethyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)piperidin-4-amine

1,3-dimethyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)piperidin-4-amine (PubChem CID 115717630) has the molecular formula C16H23N3S and a molecular weight of 289.45 g/mol. Its IUPAC name is 1,3-dimethyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)piperidin-4-amine.

Molecular Properties

Compound Name1,3-dimethyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)piperidin-4-amine
PubChem CID115717630
Molecular FormulaC16H23N3S
Molecular Weight289.45 g/mol
Exact Mass289.16
IUPAC Name1,3-dimethyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)piperidin-4-amine
SMILESCC(NC1CCN(C)CC1C)c1cnc2ccsc2c1
InChIInChI=1S/C16H23N3S/c1-11-10-19(3)6-4-14(11)18-12(2)13-8-16-15(17-9-13)5-7-20-16/h5,7-9,11-12,14,18H,4,6,10H2,1-3H3
InChIKeyFDZSNNMBHXPFNM-UHFFFAOYSA-N
XLogP3.29
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.45
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)piperidin-4-amine?
The IUPAC name of 1,3-dimethyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)piperidin-4-amine (CID 115717630) is 1,3-dimethyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)piperidin-4-amine.
What is the SMILES notation for 1,3-dimethyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)piperidin-4-amine?
The canonical SMILES for 1,3-dimethyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)piperidin-4-amine is CC(NC1CCN(C)CC1C)c1cnc2ccsc2c1.
What is the InChIKey of 1,3-dimethyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)piperidin-4-amine?
The InChIKey is FDZSNNMBHXPFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3S/c1-11-10-19(3)6-4-14(11)18-12(2)13-8-16-15(17-9-13)5-7-20-16/h5,7-9,11-12,14,18H,4,6,10H2,1-3H3.
What are the key properties of 1,3-dimethyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)piperidin-4-amine?
1,3-dimethyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)piperidin-4-amine has a molecular weight of 289.45 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)piperidin-4-amine is sourced from PubChem (CID 115717630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).