2-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-6-pyrrolidin-1-yl-4-(trifluoromethyl)pyridine

C24H30F3N3O — CID 24801458

IUPAC2-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-6-pyrrolidin-1-yl-4-(trifluoromethyl)pyridine
SMILESCN1CCC(COCc2cc(C(F)(F)F)cc(N3CCCC3)n2)(c2ccccc2)CC1
InChIInChI=1S/C24H30F3N3O/c1-29-13-9-23(10-14-29,19-7-3-2-4-8-19)18-31-17-21-15-20(24(25,26)27)16-22(28-21)30-11-5-6-12-30/h2-4,7-8,15-16H,5-6,9-14,17-18H2,1H3
InChIKeyJOTAAZWGDRXATN-UHFFFAOYSA-N
MW433.52 g/mol
LogP4.88
Rot. Bonds6

About 2-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-6-pyrrolidin-1-yl-4-(trifluoromethyl)pyridine

2-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-6-pyrrolidin-1-yl-4-(trifluoromethyl)pyridine (PubChem CID 24801458) has the molecular formula C24H30F3N3O and a molecular weight of 433.52 g/mol. Its IUPAC name is 2-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-6-pyrrolidin-1-yl-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-6-pyrrolidin-1-yl-4-(trifluoromethyl)pyridine
PubChem CID24801458
Molecular FormulaC24H30F3N3O
Molecular Weight433.52 g/mol
Exact Mass433.23
IUPAC Name2-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-6-pyrrolidin-1-yl-4-(trifluoromethyl)pyridine
SMILESCN1CCC(COCc2cc(C(F)(F)F)cc(N3CCCC3)n2)(c2ccccc2)CC1
InChIInChI=1S/C24H30F3N3O/c1-29-13-9-23(10-14-29,19-7-3-2-4-8-19)18-31-17-21-15-20(24(25,26)27)16-22(28-21)30-11-5-6-12-30/h2-4,7-8,15-16H,5-6,9-14,17-18H2,1H3
InChIKeyJOTAAZWGDRXATN-UHFFFAOYSA-N
XLogP4.88
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.52
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-N-methyl-4-(trifluoromethyl)pyridin-2-amine
CID 24799545
2-(2,5-Dihydropyrrol-1-yl)-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine
CID 24799187
6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-N-pentan-3-yl-4-(trifluoromethyl)pyridin-2-amine
CID 24799364
N-ethyl-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridin-2-amine
CID 24799365
N,N-diethyl-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridin-2-amine
CID 24799366
6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-N,N-bis(2-methylpropyl)-4-(trifluoromethyl)pyridin-2-amine
CID 24799546
2-Cyclopropyl-6-(((4-(4-fluorophenyl)-1-methylpiperidin-4-yl)methoxy)methyl)-4-(trifluoromethyl)pyridine
CID 24800231
2-Cyclopentyl-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine
CID 24800398
1-Methyl-4-(6-(((4-phenylpiperidin-4-yl)methoxy)methyl)-4-(trifluoromethyl)pyridine-2-yl)piperazine
CID 24800577
2-[(4-Phenylpiperidin-4-yl)methoxymethyl]-6-pyrrolidin-1-yl-4-(trifluoromethyl)pyridine
CID 24800578
6-[[4-(4-fluorophenyl)piperidin-4-yl]methoxymethyl]-N,N-dimethyl-4-(trifluoromethyl)pyridin-2-amine
CID 24800743
6-[(1-Methyl-4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridine-2-carbonitrile
CID 24801459

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-6-pyrrolidin-1-yl-4-(trifluoromethyl)pyridine?
The IUPAC name of 2-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-6-pyrrolidin-1-yl-4-(trifluoromethyl)pyridine (CID 24801458) is 2-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-6-pyrrolidin-1-yl-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-6-pyrrolidin-1-yl-4-(trifluoromethyl)pyridine?
The canonical SMILES for 2-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-6-pyrrolidin-1-yl-4-(trifluoromethyl)pyridine is CN1CCC(COCc2cc(C(F)(F)F)cc(N3CCCC3)n2)(c2ccccc2)CC1.
What is the InChIKey of 2-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-6-pyrrolidin-1-yl-4-(trifluoromethyl)pyridine?
The InChIKey is JOTAAZWGDRXATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F3N3O/c1-29-13-9-23(10-14-29,19-7-3-2-4-8-19)18-31-17-21-15-20(24(25,26)27)16-22(28-21)30-11-5-6-12-30/h2-4,7-8,15-16H,5-6,9-14,17-18H2,1H3.
What are the key properties of 2-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-6-pyrrolidin-1-yl-4-(trifluoromethyl)pyridine?
2-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-6-pyrrolidin-1-yl-4-(trifluoromethyl)pyridine has a molecular weight of 433.52 g/mol, XLogP of 4.88, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-6-pyrrolidin-1-yl-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 24801458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).