N-[(1S,2R)-2-[4-phenyl-2-(trifluoromethyl)phenyl]cyclopropyl]piperidin-4-amine

C21H23F3N2 — CID 140765327

IUPACN-[(1S,2R)-2-[4-phenyl-2-(trifluoromethyl)phenyl]cyclopropyl]piperidin-4-amine
SMILESFC(F)(F)c1cc(-c2ccccc2)ccc1[C@H]1C[C@@H]1NC1CCNCC1
InChIInChI=1S/C21H23F3N2/c22-21(23,24)19-12-15(14-4-2-1-3-5-14)6-7-17(19)18-13-20(18)26-16-8-10-25-11-9-16/h1-7,12,16,18,20,25-26H,8-11,13H2/t18-,20+/m1/s1
InChIKeySGPSMHKPRNBUEW-QUCCMNQESA-N
MW360.42 g/mol
LogP4.57
Rot. Bonds4

About N-[(1S,2R)-2-[4-phenyl-2-(trifluoromethyl)phenyl]cyclopropyl]piperidin-4-amine

N-[(1S,2R)-2-[4-phenyl-2-(trifluoromethyl)phenyl]cyclopropyl]piperidin-4-amine (PubChem CID 140765327) has the molecular formula C21H23F3N2 and a molecular weight of 360.42 g/mol. Its IUPAC name is N-[(1S,2R)-2-[4-phenyl-2-(trifluoromethyl)phenyl]cyclopropyl]piperidin-4-amine.

Molecular Properties

Compound NameN-[(1S,2R)-2-[4-phenyl-2-(trifluoromethyl)phenyl]cyclopropyl]piperidin-4-amine
PubChem CID140765327
Molecular FormulaC21H23F3N2
Molecular Weight360.42 g/mol
Exact Mass360.18
IUPAC NameN-[(1S,2R)-2-[4-phenyl-2-(trifluoromethyl)phenyl]cyclopropyl]piperidin-4-amine
SMILESFC(F)(F)c1cc(-c2ccccc2)ccc1[C@H]1C[C@@H]1NC1CCNCC1
InChIInChI=1S/C21H23F3N2/c22-21(23,24)19-12-15(14-4-2-1-3-5-14)6-7-17(19)18-13-20(18)26-16-8-10-25-11-9-16/h1-7,12,16,18,20,25-26H,8-11,13H2/t18-,20+/m1/s1
InChIKeySGPSMHKPRNBUEW-QUCCMNQESA-N
XLogP4.57
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-[4-phenyl-2-(trifluoromethyl)phenyl]cyclopropyl]piperidin-4-amine?
The IUPAC name of N-[(1S,2R)-2-[4-phenyl-2-(trifluoromethyl)phenyl]cyclopropyl]piperidin-4-amine (CID 140765327) is N-[(1S,2R)-2-[4-phenyl-2-(trifluoromethyl)phenyl]cyclopropyl]piperidin-4-amine.
What is the SMILES notation for N-[(1S,2R)-2-[4-phenyl-2-(trifluoromethyl)phenyl]cyclopropyl]piperidin-4-amine?
The canonical SMILES for N-[(1S,2R)-2-[4-phenyl-2-(trifluoromethyl)phenyl]cyclopropyl]piperidin-4-amine is FC(F)(F)c1cc(-c2ccccc2)ccc1[C@H]1C[C@@H]1NC1CCNCC1.
What is the InChIKey of N-[(1S,2R)-2-[4-phenyl-2-(trifluoromethyl)phenyl]cyclopropyl]piperidin-4-amine?
The InChIKey is SGPSMHKPRNBUEW-QUCCMNQESA-N. The full InChI is InChI=1S/C21H23F3N2/c22-21(23,24)19-12-15(14-4-2-1-3-5-14)6-7-17(19)18-13-20(18)26-16-8-10-25-11-9-16/h1-7,12,16,18,20,25-26H,8-11,13H2/t18-,20+/m1/s1.
What are the key properties of N-[(1S,2R)-2-[4-phenyl-2-(trifluoromethyl)phenyl]cyclopropyl]piperidin-4-amine?
N-[(1S,2R)-2-[4-phenyl-2-(trifluoromethyl)phenyl]cyclopropyl]piperidin-4-amine has a molecular weight of 360.42 g/mol, XLogP of 4.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-[4-phenyl-2-(trifluoromethyl)phenyl]cyclopropyl]piperidin-4-amine is sourced from PubChem (CID 140765327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).