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

C12H21N3O — CID 62128080

IUPAC[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-2-yl]methanol
SMILESCCn1cc(CN2CCCCC2CO)cn1
InChIInChI=1S/C12H21N3O/c1-2-15-9-11(7-13-15)8-14-6-4-3-5-12(14)10-16/h7,9,12,16H,2-6,8,10H2,1H3
InChIKeyZQKVPUUZZLCMNI-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.25
Rot. Bonds4

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

[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-2-yl]methanol (PubChem CID 62128080) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is [1-[(1-ethylpyrazol-4-yl)methyl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-2-yl]methanol
PubChem CID62128080
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-2-yl]methanol
SMILESCCn1cc(CN2CCCCC2CO)cn1
InChIInChI=1S/C12H21N3O/c1-2-15-9-11(7-13-15)8-14-6-4-3-5-12(14)10-16/h7,9,12,16H,2-6,8,10H2,1H3
InChIKeyZQKVPUUZZLCMNI-UHFFFAOYSA-N
XLogP1.25
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[(1-ethylpyrazol-4-yl)methyl]azepan-2-yl]propan-2-ol
CID 114338918
[1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]methanol
CID 60685295
1-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-2-yl]-N-methylmethanamine
CID 62126735
1-[(1-ethylpyrazol-4-yl)methyl]-N'-hydroxypiperidine-2-carboximidamide
CID 77036051
(2S)-2-(1,3-dioxolan-2-yl)-1-[(1-ethylpyrazol-4-yl)methyl]piperidine
CID 97158796
[(2S)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methanol
CID 103885805
4-[2-[(2R)-1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]ethyl]pyridine
CID 124948812
2-[4-[[2-[2-(methylamino)ethyl]piperidin-1-yl]methyl]pyrazol-1-yl]ethanol
CID 64830908
2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-2-yl]cyclohexan-1-one
CID 79536816
[1-[(3,5-dimethylphenyl)methyl]piperidin-2-yl]methanol
CID 60685146
methyl (2R,3R)-1-[(1-ethylpyrazol-4-yl)methyl]-3-hydroxypiperidine-2-carboxylate
CID 129399693
[1-(pyridin-4-ylmethyl)azepan-2-yl]methanol
CID 116637584

Frequently Asked Questions

What is the IUPAC name of [1-[(1-ethylpyrazol-4-yl)methyl]piperidin-2-yl]methanol?
The IUPAC name of [1-[(1-ethylpyrazol-4-yl)methyl]piperidin-2-yl]methanol (CID 62128080) is [1-[(1-ethylpyrazol-4-yl)methyl]piperidin-2-yl]methanol.
What is the SMILES notation for [1-[(1-ethylpyrazol-4-yl)methyl]piperidin-2-yl]methanol?
The canonical SMILES for [1-[(1-ethylpyrazol-4-yl)methyl]piperidin-2-yl]methanol is CCn1cc(CN2CCCCC2CO)cn1.
What is the InChIKey of [1-[(1-ethylpyrazol-4-yl)methyl]piperidin-2-yl]methanol?
The InChIKey is ZQKVPUUZZLCMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-2-15-9-11(7-13-15)8-14-6-4-3-5-12(14)10-16/h7,9,12,16H,2-6,8,10H2,1H3.
What are the key properties of [1-[(1-ethylpyrazol-4-yl)methyl]piperidin-2-yl]methanol?
[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-2-yl]methanol has a molecular weight of 223.32 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1-ethylpyrazol-4-yl)methyl]piperidin-2-yl]methanol is sourced from PubChem (CID 62128080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).