[1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]methanol

C11H19N3O — CID 60685295

IUPAC[1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]methanol
SMILESCn1cc(CN2CCCCC2CO)cn1
InChIInChI=1S/C11H19N3O/c1-13-7-10(6-12-13)8-14-5-3-2-4-11(14)9-15/h6-7,11,15H,2-5,8-9H2,1H3
InChIKeyMTPIAEALUPUBCN-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.77
Rot. Bonds3

About [1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]methanol

[1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]methanol (PubChem CID 60685295) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is [1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]methanol
PubChem CID60685295
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name[1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]methanol
SMILESCn1cc(CN2CCCCC2CO)cn1
InChIInChI=1S/C11H19N3O/c1-13-7-10(6-12-13)8-14-5-3-2-4-11(14)9-15/h6-7,11,15H,2-5,8-9H2,1H3
InChIKeyMTPIAEALUPUBCN-UHFFFAOYSA-N
XLogP0.77
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-2-yl]methanol
CID 62128080
1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]propan-2-one
CID 79539306
[(2S)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methanol
CID 103885805
(2S)-1-[(1-methylpyrazol-4-yl)methyl]-2-(2-phenylethyl)piperidine
CID 95876965
N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 131917065
(1S)-1-(furan-2-yl)-2-[(2R)-1-[(1-methylpyrazol-4-yl)methyl]azepan-2-yl]ethanol
CID 97224996
[1-[(3,5-dimethylphenyl)methyl]piperidin-2-yl]methanol
CID 60685146
[1-(pyridin-4-ylmethyl)azepan-2-yl]methanol
CID 116637584
[(2S)-1-[(2-cyclohexylpyrimidin-5-yl)methyl]azepan-2-yl]methanol
CID 99929248
N-methyl-1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]ethanamine
CID 63855206
2-[4-[[2-[2-(methylamino)ethyl]piperidin-1-yl]methyl]pyrazol-1-yl]ethanol
CID 64830908
[(4aS,7S,7aR)-4-[(1-methylpyrazol-4-yl)methyl]-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-7-yl]methanol
CID 98819855

Frequently Asked Questions

What is the IUPAC name of [1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]methanol?
The IUPAC name of [1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]methanol (CID 60685295) is [1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]methanol.
What is the SMILES notation for [1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]methanol?
The canonical SMILES for [1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]methanol is Cn1cc(CN2CCCCC2CO)cn1.
What is the InChIKey of [1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]methanol?
The InChIKey is MTPIAEALUPUBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-13-7-10(6-12-13)8-14-5-3-2-4-11(14)9-15/h6-7,11,15H,2-5,8-9H2,1H3.
What are the key properties of [1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]methanol?
[1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]methanol has a molecular weight of 209.29 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]methanol is sourced from PubChem (CID 60685295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).