4-benzyl-2-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]morpholine

C22H27F3N4O — CID 2810101

IUPAC4-benzyl-2-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]morpholine
SMILESFC(F)(F)c1ccc(N2CCN(CC3CN(Cc4ccccc4)CCO3)CC2)nc1
InChIInChI=1S/C22H27F3N4O/c23-22(24,25)19-6-7-21(26-14-19)29-10-8-27(9-11-29)16-20-17-28(12-13-30-20)15-18-4-2-1-3-5-18/h1-7,14,20H,8-13,15-17H2
InChIKeyNXPVHLBNNYVZNP-UHFFFAOYSA-N
MW420.48 g/mol
LogP3.12
Rot. Bonds5

About 4-benzyl-2-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]morpholine

4-benzyl-2-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]morpholine (PubChem CID 2810101) has the molecular formula C22H27F3N4O and a molecular weight of 420.48 g/mol. Its IUPAC name is 4-benzyl-2-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]morpholine.

Molecular Properties

Compound Name4-benzyl-2-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]morpholine
PubChem CID2810101
Molecular FormulaC22H27F3N4O
Molecular Weight420.48 g/mol
Exact Mass420.21
IUPAC Name4-benzyl-2-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]morpholine
SMILESFC(F)(F)c1ccc(N2CCN(CC3CN(Cc4ccccc4)CCO3)CC2)nc1
InChIInChI=1S/C22H27F3N4O/c23-22(24,25)19-6-7-21(26-14-19)29-10-8-27(9-11-29)16-20-17-28(12-13-30-20)15-18-4-2-1-3-5-18/h1-7,14,20H,8-13,15-17H2
InChIKeyNXPVHLBNNYVZNP-UHFFFAOYSA-N
XLogP3.12
TPSA31.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.48
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Buparlisib
CID 16654980
Bimiralisib
CID 58507717
(S)-4-(Difluoromethyl)-5-(4-(3-methylmorpholino)-6-morpholino-1,3,5-triazin-2-yl)pyridin-2-amine
CID 121334433
N-[4-(Trifluoromethyl)phenyl]-N-[1-[5-(Trifluoromethyl)pyridin-2-Yl]piperidin-4-Yl]pyridin-3-Amine
CID 71720883
1-(2-Phenethyl)-4-(2-pyridyl)piperazine
CID 11000026
5-(2,6-Dimorpholin-4-ylpyridin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 58508157
2,4-Pyrimidinediamine, N4-[[4-[[(2-chloro-5-fluoro-4-pyrimidinyl)amino]methyl]phenyl]methyl]-N2-[2-(4-morpholinyl)ethyl]-
CID 49857283
Pqr626
CID 121334440
4-(difluoromethyl)-5-[4-(3,3-dimethylmorpholin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]pyridin-2-amine
CID 121334501
1-(3-Phenylpropyl)-4-pyridin-2-ylpiperazine
CID 667735
1-Benzyl-4-(3-(trifluoromethyl)-pyridin-2-yl)piperazine
CID 44237013
2-Morpholino-4-phenylnicotinonitrile
CID 1487460

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]morpholine?
The IUPAC name of 4-benzyl-2-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]morpholine (CID 2810101) is 4-benzyl-2-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]morpholine.
What is the SMILES notation for 4-benzyl-2-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]morpholine?
The canonical SMILES for 4-benzyl-2-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]morpholine is FC(F)(F)c1ccc(N2CCN(CC3CN(Cc4ccccc4)CCO3)CC2)nc1.
What is the InChIKey of 4-benzyl-2-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]morpholine?
The InChIKey is NXPVHLBNNYVZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27F3N4O/c23-22(24,25)19-6-7-21(26-14-19)29-10-8-27(9-11-29)16-20-17-28(12-13-30-20)15-18-4-2-1-3-5-18/h1-7,14,20H,8-13,15-17H2.
What are the key properties of 4-benzyl-2-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]morpholine?
4-benzyl-2-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]morpholine has a molecular weight of 420.48 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]morpholine is sourced from PubChem (CID 2810101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).