1-(5-methyl-2-pyridinyl)-N-(1-thiophen-2-ylethyl)piperidin-4-amine

C17H23N3S — CID 84587976

IUPAC1-(5-methyl-2-pyridinyl)-N-(1-thiophen-2-ylethyl)piperidin-4-amine
SMILESCc1ccc(N2CCC(NC(C)c3cccs3)CC2)nc1
InChIInChI=1S/C17H23N3S/c1-13-5-6-17(18-12-13)20-9-7-15(8-10-20)19-14(2)16-4-3-11-21-16/h3-6,11-12,14-15,19H,7-10H2,1-2H3
InChIKeyKCMUZVDLNXHTSJ-UHFFFAOYSA-N
MW301.46 g/mol
LogP3.77
Rot. Bonds4

About 1-(5-methyl-2-pyridinyl)-N-(1-thiophen-2-ylethyl)piperidin-4-amine

1-(5-methyl-2-pyridinyl)-N-(1-thiophen-2-ylethyl)piperidin-4-amine (PubChem CID 84587976) has the molecular formula C17H23N3S and a molecular weight of 301.46 g/mol. Its IUPAC name is 1-(5-methyl-2-pyridinyl)-N-(1-thiophen-2-ylethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-(5-methyl-2-pyridinyl)-N-(1-thiophen-2-ylethyl)piperidin-4-amine
PubChem CID84587976
Molecular FormulaC17H23N3S
Molecular Weight301.46 g/mol
Exact Mass301.16
IUPAC Name1-(5-methyl-2-pyridinyl)-N-(1-thiophen-2-ylethyl)piperidin-4-amine
SMILESCc1ccc(N2CCC(NC(C)c3cccs3)CC2)nc1
InChIInChI=1S/C17H23N3S/c1-13-5-6-17(18-12-13)20-9-7-15(8-10-20)19-14(2)16-4-3-11-21-16/h3-6,11-12,14-15,19H,7-10H2,1-2H3
InChIKeyKCMUZVDLNXHTSJ-UHFFFAOYSA-N
XLogP3.77
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-2-pyridinyl)-N-(1-thiophen-2-ylethyl)piperidin-4-amine?
The IUPAC name of 1-(5-methyl-2-pyridinyl)-N-(1-thiophen-2-ylethyl)piperidin-4-amine (CID 84587976) is 1-(5-methyl-2-pyridinyl)-N-(1-thiophen-2-ylethyl)piperidin-4-amine.
What is the SMILES notation for 1-(5-methyl-2-pyridinyl)-N-(1-thiophen-2-ylethyl)piperidin-4-amine?
The canonical SMILES for 1-(5-methyl-2-pyridinyl)-N-(1-thiophen-2-ylethyl)piperidin-4-amine is Cc1ccc(N2CCC(NC(C)c3cccs3)CC2)nc1.
What is the InChIKey of 1-(5-methyl-2-pyridinyl)-N-(1-thiophen-2-ylethyl)piperidin-4-amine?
The InChIKey is KCMUZVDLNXHTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3S/c1-13-5-6-17(18-12-13)20-9-7-15(8-10-20)19-14(2)16-4-3-11-21-16/h3-6,11-12,14-15,19H,7-10H2,1-2H3.
What are the key properties of 1-(5-methyl-2-pyridinyl)-N-(1-thiophen-2-ylethyl)piperidin-4-amine?
1-(5-methyl-2-pyridinyl)-N-(1-thiophen-2-ylethyl)piperidin-4-amine has a molecular weight of 301.46 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-2-pyridinyl)-N-(1-thiophen-2-ylethyl)piperidin-4-amine is sourced from PubChem (CID 84587976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).