(2R,3R)-N-[[2-cyclopropyloxy-5-(trifluoromethoxy)phenyl]methyl]-2-phenylpiperidin-3-amine

C22H25F3N2O2 — CID 70019616

IUPAC(2R,3R)-N-[[2-cyclopropyloxy-5-(trifluoromethoxy)phenyl]methyl]-2-phenylpiperidin-3-amine
SMILESFC(F)(F)Oc1ccc(OC2CC2)c(CN[C@@H]2CCCN[C@@H]2c2ccccc2)c1
InChIInChI=1S/C22H25F3N2O2/c23-22(24,25)29-18-10-11-20(28-17-8-9-17)16(13-18)14-27-19-7-4-12-26-21(19)15-5-2-1-3-6-15/h1-3,5-6,10-11,13,17,19,21,26-27H,4,7-9,12,14H2/t19-,21-/m1/s1
InChIKeyOLICQABIENPQGN-TZIWHRDSSA-N
MW406.45 g/mol
LogP4.71
Rot. Bonds7

About (2R,3R)-N-[[2-cyclopropyloxy-5-(trifluoromethoxy)phenyl]methyl]-2-phenylpiperidin-3-amine

(2R,3R)-N-[[2-cyclopropyloxy-5-(trifluoromethoxy)phenyl]methyl]-2-phenylpiperidin-3-amine (PubChem CID 70019616) has the molecular formula C22H25F3N2O2 and a molecular weight of 406.45 g/mol. Its IUPAC name is (2R,3R)-N-[[2-cyclopropyloxy-5-(trifluoromethoxy)phenyl]methyl]-2-phenylpiperidin-3-amine.

Molecular Properties

Compound Name(2R,3R)-N-[[2-cyclopropyloxy-5-(trifluoromethoxy)phenyl]methyl]-2-phenylpiperidin-3-amine
PubChem CID70019616
Molecular FormulaC22H25F3N2O2
Molecular Weight406.45 g/mol
Exact Mass406.19
IUPAC Name(2R,3R)-N-[[2-cyclopropyloxy-5-(trifluoromethoxy)phenyl]methyl]-2-phenylpiperidin-3-amine
SMILESFC(F)(F)Oc1ccc(OC2CC2)c(CN[C@@H]2CCCN[C@@H]2c2ccccc2)c1
InChIInChI=1S/C22H25F3N2O2/c23-22(24,25)29-18-10-11-20(28-17-8-9-17)16(13-18)14-27-19-7-4-12-26-21(19)15-5-2-1-3-6-15/h1-3,5-6,10-11,13,17,19,21,26-27H,4,7-9,12,14H2/t19-,21-/m1/s1
InChIKeyOLICQABIENPQGN-TZIWHRDSSA-N
XLogP4.71
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.45
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-[[2-cyclopropyloxy-5-(trifluoromethoxy)phenyl]methyl]-2-phenylpiperidin-3-amine?
The IUPAC name of (2R,3R)-N-[[2-cyclopropyloxy-5-(trifluoromethoxy)phenyl]methyl]-2-phenylpiperidin-3-amine (CID 70019616) is (2R,3R)-N-[[2-cyclopropyloxy-5-(trifluoromethoxy)phenyl]methyl]-2-phenylpiperidin-3-amine.
What is the SMILES notation for (2R,3R)-N-[[2-cyclopropyloxy-5-(trifluoromethoxy)phenyl]methyl]-2-phenylpiperidin-3-amine?
The canonical SMILES for (2R,3R)-N-[[2-cyclopropyloxy-5-(trifluoromethoxy)phenyl]methyl]-2-phenylpiperidin-3-amine is FC(F)(F)Oc1ccc(OC2CC2)c(CN[C@@H]2CCCN[C@@H]2c2ccccc2)c1.
What is the InChIKey of (2R,3R)-N-[[2-cyclopropyloxy-5-(trifluoromethoxy)phenyl]methyl]-2-phenylpiperidin-3-amine?
The InChIKey is OLICQABIENPQGN-TZIWHRDSSA-N. The full InChI is InChI=1S/C22H25F3N2O2/c23-22(24,25)29-18-10-11-20(28-17-8-9-17)16(13-18)14-27-19-7-4-12-26-21(19)15-5-2-1-3-6-15/h1-3,5-6,10-11,13,17,19,21,26-27H,4,7-9,12,14H2/t19-,21-/m1/s1.
What are the key properties of (2R,3R)-N-[[2-cyclopropyloxy-5-(trifluoromethoxy)phenyl]methyl]-2-phenylpiperidin-3-amine?
(2R,3R)-N-[[2-cyclopropyloxy-5-(trifluoromethoxy)phenyl]methyl]-2-phenylpiperidin-3-amine has a molecular weight of 406.45 g/mol, XLogP of 4.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-[[2-cyclopropyloxy-5-(trifluoromethoxy)phenyl]methyl]-2-phenylpiperidin-3-amine is sourced from PubChem (CID 70019616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).