2-[(2-piperidin-1-ylanilino)methyl]thiophen-3-amine

C16H21N3S — CID 66385103

IUPAC2-[(2-piperidin-1-ylanilino)methyl]thiophen-3-amine
SMILESNc1ccsc1CNc1ccccc1N1CCCCC1
InChIInChI=1S/C16H21N3S/c17-13-8-11-20-16(13)12-18-14-6-2-3-7-15(14)19-9-4-1-5-10-19/h2-3,6-8,11,18H,1,4-5,9-10,12,17H2
InChIKeyCVTMTYHCIKTMGU-UHFFFAOYSA-N
MW287.43 g/mol
LogP3.93
Rot. Bonds4

About 2-[(2-piperidin-1-ylanilino)methyl]thiophen-3-amine

2-[(2-piperidin-1-ylanilino)methyl]thiophen-3-amine (PubChem CID 66385103) has the molecular formula C16H21N3S and a molecular weight of 287.43 g/mol. Its IUPAC name is 2-[(2-piperidin-1-ylanilino)methyl]thiophen-3-amine.

Molecular Properties

Compound Name2-[(2-piperidin-1-ylanilino)methyl]thiophen-3-amine
PubChem CID66385103
Molecular FormulaC16H21N3S
Molecular Weight287.43 g/mol
Exact Mass287.15
IUPAC Name2-[(2-piperidin-1-ylanilino)methyl]thiophen-3-amine
SMILESNc1ccsc1CNc1ccccc1N1CCCCC1
InChIInChI=1S/C16H21N3S/c17-13-8-11-20-16(13)12-18-14-6-2-3-7-15(14)19-9-4-1-5-10-19/h2-3,6-8,11,18H,1,4-5,9-10,12,17H2
InChIKeyCVTMTYHCIKTMGU-UHFFFAOYSA-N
XLogP3.93
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-piperidin-1-ylanilino)methyl]thiophen-3-amine?
The IUPAC name of 2-[(2-piperidin-1-ylanilino)methyl]thiophen-3-amine (CID 66385103) is 2-[(2-piperidin-1-ylanilino)methyl]thiophen-3-amine.
What is the SMILES notation for 2-[(2-piperidin-1-ylanilino)methyl]thiophen-3-amine?
The canonical SMILES for 2-[(2-piperidin-1-ylanilino)methyl]thiophen-3-amine is Nc1ccsc1CNc1ccccc1N1CCCCC1.
What is the InChIKey of 2-[(2-piperidin-1-ylanilino)methyl]thiophen-3-amine?
The InChIKey is CVTMTYHCIKTMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3S/c17-13-8-11-20-16(13)12-18-14-6-2-3-7-15(14)19-9-4-1-5-10-19/h2-3,6-8,11,18H,1,4-5,9-10,12,17H2.
What are the key properties of 2-[(2-piperidin-1-ylanilino)methyl]thiophen-3-amine?
2-[(2-piperidin-1-ylanilino)methyl]thiophen-3-amine has a molecular weight of 287.43 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-piperidin-1-ylanilino)methyl]thiophen-3-amine is sourced from PubChem (CID 66385103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).