2,5-dimethyl-N-phenyl-1-(2-phenylethyl)-N-(thiophen-2-ylmethyl)piperidin-4-amine

C26H32N2S — CID 3078859

IUPAC2,5-dimethyl-N-phenyl-1-(2-phenylethyl)-N-(thiophen-2-ylmethyl)piperidin-4-amine
SMILESCC1CN(CCc2ccccc2)C(C)CC1N(Cc1cccs1)c1ccccc1
InChIInChI=1S/C26H32N2S/c1-21-19-27(16-15-23-10-5-3-6-11-23)22(2)18-26(21)28(20-25-14-9-17-29-25)24-12-7-4-8-13-24/h3-14,17,21-22,26H,15-16,18-20H2,1-2H3
InChIKeyDBMPYEABZGBWCO-UHFFFAOYSA-N
MW404.62 g/mol
LogP6.10
Rot. Bonds7

About 2,5-dimethyl-N-phenyl-1-(2-phenylethyl)-N-(thiophen-2-ylmethyl)piperidin-4-amine

2,5-dimethyl-N-phenyl-1-(2-phenylethyl)-N-(thiophen-2-ylmethyl)piperidin-4-amine (PubChem CID 3078859) has the molecular formula C26H32N2S and a molecular weight of 404.62 g/mol. Its IUPAC name is 2,5-dimethyl-N-phenyl-1-(2-phenylethyl)-N-(thiophen-2-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound Name2,5-dimethyl-N-phenyl-1-(2-phenylethyl)-N-(thiophen-2-ylmethyl)piperidin-4-amine
PubChem CID3078859
Molecular FormulaC26H32N2S
Molecular Weight404.62 g/mol
Exact Mass404.23
IUPAC Name2,5-dimethyl-N-phenyl-1-(2-phenylethyl)-N-(thiophen-2-ylmethyl)piperidin-4-amine
SMILESCC1CN(CCc2ccccc2)C(C)CC1N(Cc1cccs1)c1ccccc1
InChIInChI=1S/C26H32N2S/c1-21-19-27(16-15-23-10-5-3-6-11-23)22(2)18-26(21)28(20-25-14-9-17-29-25)24-12-7-4-8-13-24/h3-14,17,21-22,26H,15-16,18-20H2,1-2H3
InChIKeyDBMPYEABZGBWCO-UHFFFAOYSA-N
XLogP6.10
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.62
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-phenyl-1-(2-phenylethyl)-N-(thiophen-2-ylmethyl)piperidin-4-amine?
The IUPAC name of 2,5-dimethyl-N-phenyl-1-(2-phenylethyl)-N-(thiophen-2-ylmethyl)piperidin-4-amine (CID 3078859) is 2,5-dimethyl-N-phenyl-1-(2-phenylethyl)-N-(thiophen-2-ylmethyl)piperidin-4-amine.
What is the SMILES notation for 2,5-dimethyl-N-phenyl-1-(2-phenylethyl)-N-(thiophen-2-ylmethyl)piperidin-4-amine?
The canonical SMILES for 2,5-dimethyl-N-phenyl-1-(2-phenylethyl)-N-(thiophen-2-ylmethyl)piperidin-4-amine is CC1CN(CCc2ccccc2)C(C)CC1N(Cc1cccs1)c1ccccc1.
What is the InChIKey of 2,5-dimethyl-N-phenyl-1-(2-phenylethyl)-N-(thiophen-2-ylmethyl)piperidin-4-amine?
The InChIKey is DBMPYEABZGBWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2S/c1-21-19-27(16-15-23-10-5-3-6-11-23)22(2)18-26(21)28(20-25-14-9-17-29-25)24-12-7-4-8-13-24/h3-14,17,21-22,26H,15-16,18-20H2,1-2H3.
What are the key properties of 2,5-dimethyl-N-phenyl-1-(2-phenylethyl)-N-(thiophen-2-ylmethyl)piperidin-4-amine?
2,5-dimethyl-N-phenyl-1-(2-phenylethyl)-N-(thiophen-2-ylmethyl)piperidin-4-amine has a molecular weight of 404.62 g/mol, XLogP of 6.10, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-phenyl-1-(2-phenylethyl)-N-(thiophen-2-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 3078859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).