[4-[2-(2-piperidin-1-ylethyl)-4-(trifluoromethyl)phenyl]phenyl]methanamine

C21H25F3N2 — CID 140666490

IUPAC[4-[2-(2-piperidin-1-ylethyl)-4-(trifluoromethyl)phenyl]phenyl]methanamine
SMILESNCc1ccc(-c2ccc(C(F)(F)F)cc2CCN2CCCCC2)cc1
InChIInChI=1S/C21H25F3N2/c22-21(23,24)19-8-9-20(17-6-4-16(15-25)5-7-17)18(14-19)10-13-26-11-2-1-3-12-26/h4-9,14H,1-3,10-13,15,25H2
InChIKeyGUFISTBXWGRRCM-UHFFFAOYSA-N
MW362.44 g/mol
LogP4.86
Rot. Bonds5

About [4-[2-(2-piperidin-1-ylethyl)-4-(trifluoromethyl)phenyl]phenyl]methanamine

[4-[2-(2-piperidin-1-ylethyl)-4-(trifluoromethyl)phenyl]phenyl]methanamine (PubChem CID 140666490) has the molecular formula C21H25F3N2 and a molecular weight of 362.44 g/mol. Its IUPAC name is [4-[2-(2-piperidin-1-ylethyl)-4-(trifluoromethyl)phenyl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[2-(2-piperidin-1-ylethyl)-4-(trifluoromethyl)phenyl]phenyl]methanamine
PubChem CID140666490
Molecular FormulaC21H25F3N2
Molecular Weight362.44 g/mol
Exact Mass362.20
IUPAC Name[4-[2-(2-piperidin-1-ylethyl)-4-(trifluoromethyl)phenyl]phenyl]methanamine
SMILESNCc1ccc(-c2ccc(C(F)(F)F)cc2CCN2CCCCC2)cc1
InChIInChI=1S/C21H25F3N2/c22-21(23,24)19-8-9-20(17-6-4-16(15-25)5-7-17)18(14-19)10-13-26-11-2-1-3-12-26/h4-9,14H,1-3,10-13,15,25H2
InChIKeyGUFISTBXWGRRCM-UHFFFAOYSA-N
XLogP4.86
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-[2-(2-piperidin-1-ylethyl)-4-(trifluoromethyl)phenyl]phenyl]methanamine?
The IUPAC name of [4-[2-(2-piperidin-1-ylethyl)-4-(trifluoromethyl)phenyl]phenyl]methanamine (CID 140666490) is [4-[2-(2-piperidin-1-ylethyl)-4-(trifluoromethyl)phenyl]phenyl]methanamine.
What is the SMILES notation for [4-[2-(2-piperidin-1-ylethyl)-4-(trifluoromethyl)phenyl]phenyl]methanamine?
The canonical SMILES for [4-[2-(2-piperidin-1-ylethyl)-4-(trifluoromethyl)phenyl]phenyl]methanamine is NCc1ccc(-c2ccc(C(F)(F)F)cc2CCN2CCCCC2)cc1.
What is the InChIKey of [4-[2-(2-piperidin-1-ylethyl)-4-(trifluoromethyl)phenyl]phenyl]methanamine?
The InChIKey is GUFISTBXWGRRCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F3N2/c22-21(23,24)19-8-9-20(17-6-4-16(15-25)5-7-17)18(14-19)10-13-26-11-2-1-3-12-26/h4-9,14H,1-3,10-13,15,25H2.
What are the key properties of [4-[2-(2-piperidin-1-ylethyl)-4-(trifluoromethyl)phenyl]phenyl]methanamine?
[4-[2-(2-piperidin-1-ylethyl)-4-(trifluoromethyl)phenyl]phenyl]methanamine has a molecular weight of 362.44 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(2-piperidin-1-ylethyl)-4-(trifluoromethyl)phenyl]phenyl]methanamine is sourced from PubChem (CID 140666490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).