4-(2-methylpyrazol-3-yl)-1-(1-naphthalen-2-ylethyl)piperidin-4-ol;2,2,2-trifluoroacetic acid

C23H26F3N3O3 — CID 166265384

IUPAC4-(2-methylpyrazol-3-yl)-1-(1-naphthalen-2-ylethyl)piperidin-4-ol;2,2,2-trifluoroacetic acid
SMILESCC(c1ccc2ccccc2c1)N1CCC(O)(c2ccnn2C)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C21H25N3O.C2HF3O2/c1-16(18-8-7-17-5-3-4-6-19(17)15-18)24-13-10-21(25,11-14-24)20-9-12-22-23(20)2;3-2(4,5)1(6)7/h3-9,12,15-16,25H,10-11,13-14H2,1-2H3;(H,6,7)
InChIKeyZXMBDQPCUKTAAD-UHFFFAOYSA-N
MW449.47 g/mol
LogP4.25
Rot. Bonds3

About 4-(2-methylpyrazol-3-yl)-1-(1-naphthalen-2-ylethyl)piperidin-4-ol;2,2,2-trifluoroacetic acid

4-(2-methylpyrazol-3-yl)-1-(1-naphthalen-2-ylethyl)piperidin-4-ol;2,2,2-trifluoroacetic acid (PubChem CID 166265384) has the molecular formula C23H26F3N3O3 and a molecular weight of 449.47 g/mol. Its IUPAC name is 4-(2-methylpyrazol-3-yl)-1-(1-naphthalen-2-ylethyl)piperidin-4-ol;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-(2-methylpyrazol-3-yl)-1-(1-naphthalen-2-ylethyl)piperidin-4-ol;2,2,2-trifluoroacetic acid
PubChem CID166265384
Molecular FormulaC23H26F3N3O3
Molecular Weight449.47 g/mol
Exact Mass449.19
IUPAC Name4-(2-methylpyrazol-3-yl)-1-(1-naphthalen-2-ylethyl)piperidin-4-ol;2,2,2-trifluoroacetic acid
SMILESCC(c1ccc2ccccc2c1)N1CCC(O)(c2ccnn2C)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C21H25N3O.C2HF3O2/c1-16(18-8-7-17-5-3-4-6-19(17)15-18)24-13-10-21(25,11-14-24)20-9-12-22-23(20)2;3-2(4,5)1(6)7/h3-9,12,15-16,25H,10-11,13-14H2,1-2H3;(H,6,7)
InChIKeyZXMBDQPCUKTAAD-UHFFFAOYSA-N
XLogP4.25
TPSA78.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.47
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(2-methylpyrazol-3-yl)-1-(1-naphthalen-2-ylethyl)piperidin-4-ol;2,2,2-trifluoroacetic acid with MolForge

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

Launch Full Analysis

Related Compounds

dimethyl 1-[(1R)-1-naphthalen-2-ylethyl]piperidine-4,4-dicarboxylate
CID 46854256
1-(1-naphthalen-2-ylethyl)piperidine-4-carboxylic acid
CID 65054272
1-[(1R)-1-naphthalen-2-ylethyl]piperazine
CID 93464443
1-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)cyclohexan-1-ol
CID 64756732
1-(2-methylpyrazol-3-yl)cycloheptan-1-ol
CID 63961552
N-[1-[(1R)-1-naphthalen-2-ylethyl]piperidin-4-yl]benzamide
CID 51966883
1-(6-fluoroquinolin-2-yl)-4-(2-methylpyrazol-3-yl)piperidin-4-ol
CID 167770616
N-cyclopropyl-1-[(1R)-1-naphthalen-2-ylethyl]piperidine-4-carboxamide
CID 94651891
N-[1,3-bis[(1S)-1-naphthalen-2-ylethyl]-2-oxo-1,3,2λ5-diazaphospholidin-2-yl]-1,1,1-trifluoromethanesulfonamide
CID 156682580
1-(1-naphthalen-2-ylethyl)piperidin-4-amine;hydrochloride
CID 119907327
1-methyl-3a-phenyl-6-propan-2-yl-2,3,4,5,7,7a-hexahydropyrrolo[2,3-c]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 155848227
1-(1-naphthalen-2-ylethyl)-1,4-diazepane
CID 61058086

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpyrazol-3-yl)-1-(1-naphthalen-2-ylethyl)piperidin-4-ol;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-(2-methylpyrazol-3-yl)-1-(1-naphthalen-2-ylethyl)piperidin-4-ol;2,2,2-trifluoroacetic acid (CID 166265384) is 4-(2-methylpyrazol-3-yl)-1-(1-naphthalen-2-ylethyl)piperidin-4-ol;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-(2-methylpyrazol-3-yl)-1-(1-naphthalen-2-ylethyl)piperidin-4-ol;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-(2-methylpyrazol-3-yl)-1-(1-naphthalen-2-ylethyl)piperidin-4-ol;2,2,2-trifluoroacetic acid is CC(c1ccc2ccccc2c1)N1CCC(O)(c2ccnn2C)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of 4-(2-methylpyrazol-3-yl)-1-(1-naphthalen-2-ylethyl)piperidin-4-ol;2,2,2-trifluoroacetic acid?
The InChIKey is ZXMBDQPCUKTAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O.C2HF3O2/c1-16(18-8-7-17-5-3-4-6-19(17)15-18)24-13-10-21(25,11-14-24)20-9-12-22-23(20)2;3-2(4,5)1(6)7/h3-9,12,15-16,25H,10-11,13-14H2,1-2H3;(H,6,7).
What are the key properties of 4-(2-methylpyrazol-3-yl)-1-(1-naphthalen-2-ylethyl)piperidin-4-ol;2,2,2-trifluoroacetic acid?
4-(2-methylpyrazol-3-yl)-1-(1-naphthalen-2-ylethyl)piperidin-4-ol;2,2,2-trifluoroacetic acid has a molecular weight of 449.47 g/mol, XLogP of 4.25, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpyrazol-3-yl)-1-(1-naphthalen-2-ylethyl)piperidin-4-ol;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 166265384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).