4-[1-benzyl-4-[methoxy(thiophen-2-yl)methyl]piperidin-2-yl]aniline

C24H28N2OS — CID 70366420

IUPAC4-[1-benzyl-4-[methoxy(thiophen-2-yl)methyl]piperidin-2-yl]aniline
SMILESCOC(c1cccs1)C1CCN(Cc2ccccc2)C(c2ccc(N)cc2)C1
InChIInChI=1S/C24H28N2OS/c1-27-24(23-8-5-15-28-23)20-13-14-26(17-18-6-3-2-4-7-18)22(16-20)19-9-11-21(25)12-10-19/h2-12,15,20,22,24H,13-14,16-17,25H2,1H3
InChIKeyZKFFKYXOGJHKGO-UHFFFAOYSA-N
MW392.57 g/mol
LogP5.67
Rot. Bonds6

About 4-[1-benzyl-4-[methoxy(thiophen-2-yl)methyl]piperidin-2-yl]aniline

4-[1-benzyl-4-[methoxy(thiophen-2-yl)methyl]piperidin-2-yl]aniline (PubChem CID 70366420) has the molecular formula C24H28N2OS and a molecular weight of 392.57 g/mol. Its IUPAC name is 4-[1-benzyl-4-[methoxy(thiophen-2-yl)methyl]piperidin-2-yl]aniline.

Molecular Properties

Compound Name4-[1-benzyl-4-[methoxy(thiophen-2-yl)methyl]piperidin-2-yl]aniline
PubChem CID70366420
Molecular FormulaC24H28N2OS
Molecular Weight392.57 g/mol
Exact Mass392.19
IUPAC Name4-[1-benzyl-4-[methoxy(thiophen-2-yl)methyl]piperidin-2-yl]aniline
SMILESCOC(c1cccs1)C1CCN(Cc2ccccc2)C(c2ccc(N)cc2)C1
InChIInChI=1S/C24H28N2OS/c1-27-24(23-8-5-15-28-23)20-13-14-26(17-18-6-3-2-4-7-18)22(16-20)19-9-11-21(25)12-10-19/h2-12,15,20,22,24H,13-14,16-17,25H2,1H3
InChIKeyZKFFKYXOGJHKGO-UHFFFAOYSA-N
XLogP5.67
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.57
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[1-benzyl-4-[methoxy(thiophen-2-yl)methyl]piperidin-2-yl]aniline?
The IUPAC name of 4-[1-benzyl-4-[methoxy(thiophen-2-yl)methyl]piperidin-2-yl]aniline (CID 70366420) is 4-[1-benzyl-4-[methoxy(thiophen-2-yl)methyl]piperidin-2-yl]aniline.
What is the SMILES notation for 4-[1-benzyl-4-[methoxy(thiophen-2-yl)methyl]piperidin-2-yl]aniline?
The canonical SMILES for 4-[1-benzyl-4-[methoxy(thiophen-2-yl)methyl]piperidin-2-yl]aniline is COC(c1cccs1)C1CCN(Cc2ccccc2)C(c2ccc(N)cc2)C1.
What is the InChIKey of 4-[1-benzyl-4-[methoxy(thiophen-2-yl)methyl]piperidin-2-yl]aniline?
The InChIKey is ZKFFKYXOGJHKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2OS/c1-27-24(23-8-5-15-28-23)20-13-14-26(17-18-6-3-2-4-7-18)22(16-20)19-9-11-21(25)12-10-19/h2-12,15,20,22,24H,13-14,16-17,25H2,1H3.
What are the key properties of 4-[1-benzyl-4-[methoxy(thiophen-2-yl)methyl]piperidin-2-yl]aniline?
4-[1-benzyl-4-[methoxy(thiophen-2-yl)methyl]piperidin-2-yl]aniline has a molecular weight of 392.57 g/mol, XLogP of 5.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-benzyl-4-[methoxy(thiophen-2-yl)methyl]piperidin-2-yl]aniline is sourced from PubChem (CID 70366420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).