(3R,4R)-3-methoxy-4-methyl-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine

C14H25N3O — CID 124620281

IUPAC(3R,4R)-3-methoxy-4-methyl-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine
SMILESCO[C@H]1CN(Cc2cnn(C(C)C)c2)CC[C@H]1C
InChIInChI=1S/C14H25N3O/c1-11(2)17-9-13(7-15-17)8-16-6-5-12(3)14(10-16)18-4/h7,9,11-12,14H,5-6,8,10H2,1-4H3/t12-,14+/m1/s1
InChIKeyGYHOJHFHNKECLG-OCCSQVGLSA-N
MW251.37 g/mol
LogP2.32
Rot. Bonds4

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

(3R,4R)-3-methoxy-4-methyl-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine (PubChem CID 124620281) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is (3R,4R)-3-methoxy-4-methyl-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine.

Molecular Properties

Compound Name(3R,4R)-3-methoxy-4-methyl-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine
PubChem CID124620281
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name(3R,4R)-3-methoxy-4-methyl-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine
SMILESCO[C@H]1CN(Cc2cnn(C(C)C)c2)CC[C@H]1C
InChIInChI=1S/C14H25N3O/c1-11(2)17-9-13(7-15-17)8-16-6-5-12(3)14(10-16)18-4/h7,9,11-12,14H,5-6,8,10H2,1-4H3/t12-,14+/m1/s1
InChIKeyGYHOJHFHNKECLG-OCCSQVGLSA-N
XLogP2.32
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethyl-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazine
CID 104869499
4-(2-methoxyphenyl)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine
CID 77093189
(1S)-1-[(3S)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]ethanol
CID 129436530
N-[[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]methyl]ethanamine
CID 104869799
(3S)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]-3-propoxypiperidine
CID 99962027
3-[4-[(3-methoxy-4-methylpiperidin-1-yl)methyl]phenyl]prop-2-yn-1-amine
CID 102964523
[3-fluoro-5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]phenyl]boronic acid
CID 102966004
7-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 102963359
[(2S)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methanol
CID 103885805
3-chloro-6-[(3-methoxy-4-methylpiperidin-1-yl)methyl]pyridazine
CID 102957006
5-oxo-1-[(1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidine-2-carboxylic acid
CID 114076043
(2S)-1-(3-methoxy-4-methylpiperidin-1-yl)propan-2-amine
CID 102965393

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-methoxy-4-methyl-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine?
The IUPAC name of (3R,4R)-3-methoxy-4-methyl-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine (CID 124620281) is (3R,4R)-3-methoxy-4-methyl-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine.
What is the SMILES notation for (3R,4R)-3-methoxy-4-methyl-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine?
The canonical SMILES for (3R,4R)-3-methoxy-4-methyl-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine is CO[C@H]1CN(Cc2cnn(C(C)C)c2)CC[C@H]1C.
What is the InChIKey of (3R,4R)-3-methoxy-4-methyl-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine?
The InChIKey is GYHOJHFHNKECLG-OCCSQVGLSA-N. The full InChI is InChI=1S/C14H25N3O/c1-11(2)17-9-13(7-15-17)8-16-6-5-12(3)14(10-16)18-4/h7,9,11-12,14H,5-6,8,10H2,1-4H3/t12-,14+/m1/s1.
What are the key properties of (3R,4R)-3-methoxy-4-methyl-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine?
(3R,4R)-3-methoxy-4-methyl-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine has a molecular weight of 251.37 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-methoxy-4-methyl-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine is sourced from PubChem (CID 124620281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).