3-methoxy-1-[(3-propyl-1H-pyrazol-5-yl)methyl]piperidine;2,2,2-trifluoroacetic acid

C15H24F3N3O3 — CID 154888424

IUPAC3-methoxy-1-[(3-propyl-1H-pyrazol-5-yl)methyl]piperidine;2,2,2-trifluoroacetic acid
SMILESCCCc1cc(CN2CCCC(OC)C2)[nH]n1.O=C(O)C(F)(F)F
InChIInChI=1S/C13H23N3O.C2HF3O2/c1-3-5-11-8-12(15-14-11)9-16-7-4-6-13(10-16)17-2;3-2(4,5)1(6)7/h8,13H,3-7,9-10H2,1-2H3,(H,14,15);(H,6,7)
InChIKeyJCHCNSJQXCPLFV-UHFFFAOYSA-N
MW351.37 g/mol
LogP2.61
Rot. Bonds5

About 3-methoxy-1-[(3-propyl-1H-pyrazol-5-yl)methyl]piperidine;2,2,2-trifluoroacetic acid

3-methoxy-1-[(3-propyl-1H-pyrazol-5-yl)methyl]piperidine;2,2,2-trifluoroacetic acid (PubChem CID 154888424) has the molecular formula C15H24F3N3O3 and a molecular weight of 351.37 g/mol. Its IUPAC name is 3-methoxy-1-[(3-propyl-1H-pyrazol-5-yl)methyl]piperidine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3-methoxy-1-[(3-propyl-1H-pyrazol-5-yl)methyl]piperidine;2,2,2-trifluoroacetic acid
PubChem CID154888424
Molecular FormulaC15H24F3N3O3
Molecular Weight351.37 g/mol
Exact Mass351.18
IUPAC Name3-methoxy-1-[(3-propyl-1H-pyrazol-5-yl)methyl]piperidine;2,2,2-trifluoroacetic acid
SMILESCCCc1cc(CN2CCCC(OC)C2)[nH]n1.O=C(O)C(F)(F)F
InChIInChI=1S/C13H23N3O.C2HF3O2/c1-3-5-11-8-12(15-14-11)9-16-7-4-6-13(10-16)17-2;3-2(4,5)1(6)7/h8,13H,3-7,9-10H2,1-2H3,(H,14,15);(H,6,7)
InChIKeyJCHCNSJQXCPLFV-UHFFFAOYSA-N
XLogP2.61
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3-methoxypiperidin-1-yl)-6-propyl-4-pyridinyl]methanol
CID 102964270
4-[[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]pyridine;2,2,2-trifluoroacetic acid
CID 71926934
2-fluoro-5-[(3-methoxypiperidin-1-yl)methyl]benzoic acid
CID 107880927
[(3R)-1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-3-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 42595073
2-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]acetic acid
CID 102959653
2-[2-methoxy-4-[[(3R)-3-methoxypiperidin-1-yl]methyl]phenoxy]acetic acid
CID 125443053
5-[(3-methoxypiperidin-1-yl)methyl]-1-methylpyrazole-4-carboxylic acid
CID 102959576
4-[(3-methoxypiperidin-1-yl)methyl]-5-methylfuran-2-carboxylic acid
CID 102959563
2-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]ethylcarbamic acid
CID 67217694
4-[(3-methoxypiperidin-1-yl)methyl]-2-(trifluoromethyl)phenol
CID 102969250
(5-fluoro-2-methoxyphenyl)-[(3S)-1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-3-yl]methanone
CID 42591548
N-[5-[[3-[(2,6-dimethyl-4-pyridinyl)oxymethyl]piperidin-1-yl]methyl]-1H-pyrazol-3-yl]acetamide;hydrochloride
CID 162331842

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-[(3-propyl-1H-pyrazol-5-yl)methyl]piperidine;2,2,2-trifluoroacetic acid?
The IUPAC name of 3-methoxy-1-[(3-propyl-1H-pyrazol-5-yl)methyl]piperidine;2,2,2-trifluoroacetic acid (CID 154888424) is 3-methoxy-1-[(3-propyl-1H-pyrazol-5-yl)methyl]piperidine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3-methoxy-1-[(3-propyl-1H-pyrazol-5-yl)methyl]piperidine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3-methoxy-1-[(3-propyl-1H-pyrazol-5-yl)methyl]piperidine;2,2,2-trifluoroacetic acid is CCCc1cc(CN2CCCC(OC)C2)[nH]n1.O=C(O)C(F)(F)F.
What is the InChIKey of 3-methoxy-1-[(3-propyl-1H-pyrazol-5-yl)methyl]piperidine;2,2,2-trifluoroacetic acid?
The InChIKey is JCHCNSJQXCPLFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O.C2HF3O2/c1-3-5-11-8-12(15-14-11)9-16-7-4-6-13(10-16)17-2;3-2(4,5)1(6)7/h8,13H,3-7,9-10H2,1-2H3,(H,14,15);(H,6,7).
What are the key properties of 3-methoxy-1-[(3-propyl-1H-pyrazol-5-yl)methyl]piperidine;2,2,2-trifluoroacetic acid?
3-methoxy-1-[(3-propyl-1H-pyrazol-5-yl)methyl]piperidine;2,2,2-trifluoroacetic acid has a molecular weight of 351.37 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-[(3-propyl-1H-pyrazol-5-yl)methyl]piperidine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 154888424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).