(2S,5S)-5-[(4-chlorophenyl)methyl]-2-methyl-4-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]morpholine

C22H26ClF3N4O — CID 168679093

IUPAC(2S,5S)-5-[(4-chlorophenyl)methyl]-2-methyl-4-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]morpholine
SMILESC[C@H]1CN(C2CCN(c3nccc(C(F)(F)F)n3)CC2)[C@@H](Cc2ccc(Cl)cc2)CO1
InChIInChI=1S/C22H26ClF3N4O/c1-15-13-30(19(14-31-15)12-16-2-4-17(23)5-3-16)18-7-10-29(11-8-18)21-27-9-6-20(28-21)22(24,25)26/h2-6,9,15,18-19H,7-8,10-14H2,1H3/t15-,19-/m0/s1
InChIKeyNYZMXBMCRMVUAO-KXBFYZLASA-N
MW454.92 g/mol
LogP4.45
Rot. Bonds4

About (2S,5S)-5-[(4-chlorophenyl)methyl]-2-methyl-4-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]morpholine

(2S,5S)-5-[(4-chlorophenyl)methyl]-2-methyl-4-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]morpholine (PubChem CID 168679093) has the molecular formula C22H26ClF3N4O and a molecular weight of 454.92 g/mol. Its IUPAC name is (2S,5S)-5-[(4-chlorophenyl)methyl]-2-methyl-4-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]morpholine.

Molecular Properties

Compound Name(2S,5S)-5-[(4-chlorophenyl)methyl]-2-methyl-4-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]morpholine
PubChem CID168679093
Molecular FormulaC22H26ClF3N4O
Molecular Weight454.92 g/mol
Exact Mass454.17
IUPAC Name(2S,5S)-5-[(4-chlorophenyl)methyl]-2-methyl-4-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]morpholine
SMILESC[C@H]1CN(C2CCN(c3nccc(C(F)(F)F)n3)CC2)[C@@H](Cc2ccc(Cl)cc2)CO1
InChIInChI=1S/C22H26ClF3N4O/c1-15-13-30(19(14-31-15)12-16-2-4-17(23)5-3-16)18-7-10-29(11-8-18)21-27-9-6-20(28-21)22(24,25)26/h2-6,9,15,18-19H,7-8,10-14H2,1H3/t15-,19-/m0/s1
InChIKeyNYZMXBMCRMVUAO-KXBFYZLASA-N
XLogP4.45
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.92
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2S,5S)-5-[(4-chlorophenyl)methyl]-2-methyl-4-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-5-[(4-chlorophenyl)methyl]-2-methyl-4-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]morpholine?
The IUPAC name of (2S,5S)-5-[(4-chlorophenyl)methyl]-2-methyl-4-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]morpholine (CID 168679093) is (2S,5S)-5-[(4-chlorophenyl)methyl]-2-methyl-4-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]morpholine.
What is the SMILES notation for (2S,5S)-5-[(4-chlorophenyl)methyl]-2-methyl-4-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]morpholine?
The canonical SMILES for (2S,5S)-5-[(4-chlorophenyl)methyl]-2-methyl-4-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]morpholine is C[C@H]1CN(C2CCN(c3nccc(C(F)(F)F)n3)CC2)[C@@H](Cc2ccc(Cl)cc2)CO1.
What is the InChIKey of (2S,5S)-5-[(4-chlorophenyl)methyl]-2-methyl-4-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]morpholine?
The InChIKey is NYZMXBMCRMVUAO-KXBFYZLASA-N. The full InChI is InChI=1S/C22H26ClF3N4O/c1-15-13-30(19(14-31-15)12-16-2-4-17(23)5-3-16)18-7-10-29(11-8-18)21-27-9-6-20(28-21)22(24,25)26/h2-6,9,15,18-19H,7-8,10-14H2,1H3/t15-,19-/m0/s1.
What are the key properties of (2S,5S)-5-[(4-chlorophenyl)methyl]-2-methyl-4-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]morpholine?
(2S,5S)-5-[(4-chlorophenyl)methyl]-2-methyl-4-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]morpholine has a molecular weight of 454.92 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-5-[(4-chlorophenyl)methyl]-2-methyl-4-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]morpholine is sourced from PubChem (CID 168679093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).