N-(2-phenylethyl)-N-(thiophen-3-ylmethyl)piperidin-4-amine

C18H24N2S — CID 166630597

IUPACN-(2-phenylethyl)-N-(thiophen-3-ylmethyl)piperidin-4-amine
SMILESc1ccc(CCN(Cc2ccsc2)C2CCNCC2)cc1
InChIInChI=1S/C18H24N2S/c1-2-4-16(5-3-1)8-12-20(14-17-9-13-21-15-17)18-6-10-19-11-7-18/h1-5,9,13,15,18-19H,6-8,10-12,14H2
InChIKeyMUIOWQNKEPIXLD-UHFFFAOYSA-N
MW300.47 g/mol
LogP3.54
Rot. Bonds6

About N-(2-phenylethyl)-N-(thiophen-3-ylmethyl)piperidin-4-amine

N-(2-phenylethyl)-N-(thiophen-3-ylmethyl)piperidin-4-amine (PubChem CID 166630597) has the molecular formula C18H24N2S and a molecular weight of 300.47 g/mol. Its IUPAC name is N-(2-phenylethyl)-N-(thiophen-3-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(2-phenylethyl)-N-(thiophen-3-ylmethyl)piperidin-4-amine
PubChem CID166630597
Molecular FormulaC18H24N2S
Molecular Weight300.47 g/mol
Exact Mass300.17
IUPAC NameN-(2-phenylethyl)-N-(thiophen-3-ylmethyl)piperidin-4-amine
SMILESc1ccc(CCN(Cc2ccsc2)C2CCNCC2)cc1
InChIInChI=1S/C18H24N2S/c1-2-4-16(5-3-1)8-12-20(14-17-9-13-21-15-17)18-6-10-19-11-7-18/h1-5,9,13,15,18-19H,6-8,10-12,14H2
InChIKeyMUIOWQNKEPIXLD-UHFFFAOYSA-N
XLogP3.54
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-N-(thiophen-3-ylmethyl)piperidin-4-amine?
The IUPAC name of N-(2-phenylethyl)-N-(thiophen-3-ylmethyl)piperidin-4-amine (CID 166630597) is N-(2-phenylethyl)-N-(thiophen-3-ylmethyl)piperidin-4-amine.
What is the SMILES notation for N-(2-phenylethyl)-N-(thiophen-3-ylmethyl)piperidin-4-amine?
The canonical SMILES for N-(2-phenylethyl)-N-(thiophen-3-ylmethyl)piperidin-4-amine is c1ccc(CCN(Cc2ccsc2)C2CCNCC2)cc1.
What is the InChIKey of N-(2-phenylethyl)-N-(thiophen-3-ylmethyl)piperidin-4-amine?
The InChIKey is MUIOWQNKEPIXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2S/c1-2-4-16(5-3-1)8-12-20(14-17-9-13-21-15-17)18-6-10-19-11-7-18/h1-5,9,13,15,18-19H,6-8,10-12,14H2.
What are the key properties of N-(2-phenylethyl)-N-(thiophen-3-ylmethyl)piperidin-4-amine?
N-(2-phenylethyl)-N-(thiophen-3-ylmethyl)piperidin-4-amine has a molecular weight of 300.47 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-N-(thiophen-3-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 166630597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).