1-pyridin-4-yl-N-(1-thiophen-3-ylethyl)piperidin-4-amine

C16H21N3S — CID 62841839

IUPAC1-pyridin-4-yl-N-(1-thiophen-3-ylethyl)piperidin-4-amine
SMILESCC(NC1CCN(c2ccncc2)CC1)c1ccsc1
InChIInChI=1S/C16H21N3S/c1-13(14-6-11-20-12-14)18-15-4-9-19(10-5-15)16-2-7-17-8-3-16/h2-3,6-8,11-13,15,18H,4-5,9-10H2,1H3
InChIKeyJZVOIQOAHREPSQ-UHFFFAOYSA-N
MW287.43 g/mol
LogP3.46
Rot. Bonds4

About 1-pyridin-4-yl-N-(1-thiophen-3-ylethyl)piperidin-4-amine

1-pyridin-4-yl-N-(1-thiophen-3-ylethyl)piperidin-4-amine (PubChem CID 62841839) has the molecular formula C16H21N3S and a molecular weight of 287.43 g/mol. Its IUPAC name is 1-pyridin-4-yl-N-(1-thiophen-3-ylethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-pyridin-4-yl-N-(1-thiophen-3-ylethyl)piperidin-4-amine
PubChem CID62841839
Molecular FormulaC16H21N3S
Molecular Weight287.43 g/mol
Exact Mass287.15
IUPAC Name1-pyridin-4-yl-N-(1-thiophen-3-ylethyl)piperidin-4-amine
SMILESCC(NC1CCN(c2ccncc2)CC1)c1ccsc1
InChIInChI=1S/C16H21N3S/c1-13(14-6-11-20-12-14)18-15-4-9-19(10-5-15)16-2-7-17-8-3-16/h2-3,6-8,11-13,15,18H,4-5,9-10H2,1H3
InChIKeyJZVOIQOAHREPSQ-UHFFFAOYSA-N
XLogP3.46
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-pyridin-4-yl-N-(1-thiophen-3-ylethyl)piperidin-4-amine?
The IUPAC name of 1-pyridin-4-yl-N-(1-thiophen-3-ylethyl)piperidin-4-amine (CID 62841839) is 1-pyridin-4-yl-N-(1-thiophen-3-ylethyl)piperidin-4-amine.
What is the SMILES notation for 1-pyridin-4-yl-N-(1-thiophen-3-ylethyl)piperidin-4-amine?
The canonical SMILES for 1-pyridin-4-yl-N-(1-thiophen-3-ylethyl)piperidin-4-amine is CC(NC1CCN(c2ccncc2)CC1)c1ccsc1.
What is the InChIKey of 1-pyridin-4-yl-N-(1-thiophen-3-ylethyl)piperidin-4-amine?
The InChIKey is JZVOIQOAHREPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3S/c1-13(14-6-11-20-12-14)18-15-4-9-19(10-5-15)16-2-7-17-8-3-16/h2-3,6-8,11-13,15,18H,4-5,9-10H2,1H3.
What are the key properties of 1-pyridin-4-yl-N-(1-thiophen-3-ylethyl)piperidin-4-amine?
1-pyridin-4-yl-N-(1-thiophen-3-ylethyl)piperidin-4-amine has a molecular weight of 287.43 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-4-yl-N-(1-thiophen-3-ylethyl)piperidin-4-amine is sourced from PubChem (CID 62841839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).