[(3R)-1-[(1-ethenyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanol

C13H21N3O — CID 95857205

IUPAC[(3R)-1-[(1-ethenyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanol
SMILESC=Cn1cc(CN2CCC[C@@H](CO)C2)c(C)n1
InChIInChI=1S/C13H21N3O/c1-3-16-9-13(11(2)14-16)8-15-6-4-5-12(7-15)10-17/h3,9,12,17H,1,4-8,10H2,2H3/t12-/m1/s1
InChIKeyANTCZZJIITYNDD-GFCCVEGCSA-N
MW235.33 g/mol
LogP1.50
Rot. Bonds4

About [(3R)-1-[(1-ethenyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanol

[(3R)-1-[(1-ethenyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanol (PubChem CID 95857205) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is [(3R)-1-[(1-ethenyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R)-1-[(1-ethenyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanol
PubChem CID95857205
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name[(3R)-1-[(1-ethenyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanol
SMILESC=Cn1cc(CN2CCC[C@@H](CO)C2)c(C)n1
InChIInChI=1S/C13H21N3O/c1-3-16-9-13(11(2)14-16)8-15-6-4-5-12(7-15)10-17/h3,9,12,17H,1,4-8,10H2,2H3/t12-/m1/s1
InChIKeyANTCZZJIITYNDD-GFCCVEGCSA-N
XLogP1.50
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S)-1-[(1-ethenyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanol
CID 95857204
[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanol
CID 43817876
[(3S)-1-[2-[3-methyl-4-(morpholin-4-ylmethyl)pyrazol-1-yl]ethyl]piperidin-3-yl]methanol
CID 95144268
[(3S)-1-[(5-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-3-yl]methanol
CID 95857221
4-[(3R)-1-[(1-ethenyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]-5-methylsulfonylthiadiazole
CID 92606840
1-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-N-methylmethanamine
CID 83088539
(3R)-1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-3-ol
CID 95857207
[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-3-yl]methanol
CID 115879487
1-[(1-ethenyl-3-methylpyrazol-4-yl)methyl]-4-(4-fluorophenyl)azepan-4-ol
CID 110223515
[(3S)-1-[(2-bromophenyl)methyl]piperidin-3-yl]methanol
CID 40514210
4-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-5-methylfuran-2-carboxylic acid
CID 62273123
[1-[(5-fluoro-2-methylphenyl)methyl]piperidin-3-yl]methanol
CID 115970131

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-[(1-ethenyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanol?
The IUPAC name of [(3R)-1-[(1-ethenyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanol (CID 95857205) is [(3R)-1-[(1-ethenyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanol.
What is the SMILES notation for [(3R)-1-[(1-ethenyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanol?
The canonical SMILES for [(3R)-1-[(1-ethenyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanol is C=Cn1cc(CN2CCC[C@@H](CO)C2)c(C)n1.
What is the InChIKey of [(3R)-1-[(1-ethenyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanol?
The InChIKey is ANTCZZJIITYNDD-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H21N3O/c1-3-16-9-13(11(2)14-16)8-15-6-4-5-12(7-15)10-17/h3,9,12,17H,1,4-8,10H2,2H3/t12-/m1/s1.
What are the key properties of [(3R)-1-[(1-ethenyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanol?
[(3R)-1-[(1-ethenyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanol has a molecular weight of 235.33 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-[(1-ethenyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanol is sourced from PubChem (CID 95857205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).