(3R,4R)-3-[(2-fluorophenyl)methyl]-4-methoxy-1-[(1-methylpyrazol-4-yl)methyl]piperidine

C18H24FN3O — CID 155992563

IUPAC(3R,4R)-3-[(2-fluorophenyl)methyl]-4-methoxy-1-[(1-methylpyrazol-4-yl)methyl]piperidine
SMILESCO[C@@H]1CCN(Cc2cnn(C)c2)C[C@H]1Cc1ccccc1F
InChIInChI=1S/C18H24FN3O/c1-21-11-14(10-20-21)12-22-8-7-18(23-2)16(13-22)9-15-5-3-4-6-17(15)19/h3-6,10-11,16,18H,7-9,12-13H2,1-2H3/t16-,18-/m1/s1
InChIKeyLGTPAOIVWWRVRX-SJLPKXTDSA-N
MW317.41 g/mol
LogP2.64
Rot. Bonds5

About (3R,4R)-3-[(2-fluorophenyl)methyl]-4-methoxy-1-[(1-methylpyrazol-4-yl)methyl]piperidine

(3R,4R)-3-[(2-fluorophenyl)methyl]-4-methoxy-1-[(1-methylpyrazol-4-yl)methyl]piperidine (PubChem CID 155992563) has the molecular formula C18H24FN3O and a molecular weight of 317.41 g/mol. Its IUPAC name is (3R,4R)-3-[(2-fluorophenyl)methyl]-4-methoxy-1-[(1-methylpyrazol-4-yl)methyl]piperidine.

Molecular Properties

Compound Name(3R,4R)-3-[(2-fluorophenyl)methyl]-4-methoxy-1-[(1-methylpyrazol-4-yl)methyl]piperidine
PubChem CID155992563
Molecular FormulaC18H24FN3O
Molecular Weight317.41 g/mol
Exact Mass317.19
IUPAC Name(3R,4R)-3-[(2-fluorophenyl)methyl]-4-methoxy-1-[(1-methylpyrazol-4-yl)methyl]piperidine
SMILESCO[C@@H]1CCN(Cc2cnn(C)c2)C[C@H]1Cc1ccccc1F
InChIInChI=1S/C18H24FN3O/c1-21-11-14(10-20-21)12-22-8-7-18(23-2)16(13-22)9-15-5-3-4-6-17(15)19/h3-6,10-11,16,18H,7-9,12-13H2,1-2H3/t16-,18-/m1/s1
InChIKeyLGTPAOIVWWRVRX-SJLPKXTDSA-N
XLogP2.64
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,4R)-4-methoxy-3-[(4-methoxyphenyl)methyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine
CID 97422458
4-[[(3S,4S)-4-[(2-fluorophenyl)methyl]-3-methoxypiperidin-1-yl]methyl]-1,3-thiazole
CID 155992892
2-[[(3R,4S)-4-[(2-fluorophenyl)methyl]-3-methoxypiperidin-1-yl]methyl]-3-methylpyridine
CID 155992910
[4-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanamine
CID 114959813
1-[(1-ethylpyrazol-4-yl)methyl]-4-[(2-fluorophenyl)methoxy]piperidine
CID 75500048
1-benzyl-3-[(2-fluorophenyl)methyl]pyrrolidine
CID 10614560
(4S,4aS,7aS)-4-methoxy-1-[(1-methylpyrazol-4-yl)methyl]-6-(pyridin-3-ylmethyl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine
CID 97421684
(4R,4aR,7aR)-4-methoxy-1-[(1-methylpyrazol-4-yl)methyl]-6-(pyridin-4-ylmethyl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine
CID 125187425
3-[[(2R,3R)-3-methoxy-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]pyridine
CID 124817739
3-[[(3R,4S)-3-benzyl-4-methoxypiperidin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 124797918
4-[[(3S,4R)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]methyl]pyridine
CID 97422462
4-bromo-1-[(1-methylpyrazol-4-yl)methyl]piperidine
CID 80680049

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-[(2-fluorophenyl)methyl]-4-methoxy-1-[(1-methylpyrazol-4-yl)methyl]piperidine?
The IUPAC name of (3R,4R)-3-[(2-fluorophenyl)methyl]-4-methoxy-1-[(1-methylpyrazol-4-yl)methyl]piperidine (CID 155992563) is (3R,4R)-3-[(2-fluorophenyl)methyl]-4-methoxy-1-[(1-methylpyrazol-4-yl)methyl]piperidine.
What is the SMILES notation for (3R,4R)-3-[(2-fluorophenyl)methyl]-4-methoxy-1-[(1-methylpyrazol-4-yl)methyl]piperidine?
The canonical SMILES for (3R,4R)-3-[(2-fluorophenyl)methyl]-4-methoxy-1-[(1-methylpyrazol-4-yl)methyl]piperidine is CO[C@@H]1CCN(Cc2cnn(C)c2)C[C@H]1Cc1ccccc1F.
What is the InChIKey of (3R,4R)-3-[(2-fluorophenyl)methyl]-4-methoxy-1-[(1-methylpyrazol-4-yl)methyl]piperidine?
The InChIKey is LGTPAOIVWWRVRX-SJLPKXTDSA-N. The full InChI is InChI=1S/C18H24FN3O/c1-21-11-14(10-20-21)12-22-8-7-18(23-2)16(13-22)9-15-5-3-4-6-17(15)19/h3-6,10-11,16,18H,7-9,12-13H2,1-2H3/t16-,18-/m1/s1.
What are the key properties of (3R,4R)-3-[(2-fluorophenyl)methyl]-4-methoxy-1-[(1-methylpyrazol-4-yl)methyl]piperidine?
(3R,4R)-3-[(2-fluorophenyl)methyl]-4-methoxy-1-[(1-methylpyrazol-4-yl)methyl]piperidine has a molecular weight of 317.41 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-[(2-fluorophenyl)methyl]-4-methoxy-1-[(1-methylpyrazol-4-yl)methyl]piperidine is sourced from PubChem (CID 155992563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).