1-[(1-ethylpyrazol-4-yl)methyl]-4-methylpiperidin-4-ol

C12H21N3O — CID 81114923

IUPAC1-[(1-ethylpyrazol-4-yl)methyl]-4-methylpiperidin-4-ol
SMILESCCn1cc(CN2CCC(C)(O)CC2)cn1
InChIInChI=1S/C12H21N3O/c1-3-15-10-11(8-13-15)9-14-6-4-12(2,16)5-7-14/h8,10,16H,3-7,9H2,1-2H3
InChIKeyBLOBLCHFBWNTTF-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.25
Rot. Bonds3

About 1-[(1-ethylpyrazol-4-yl)methyl]-4-methylpiperidin-4-ol

1-[(1-ethylpyrazol-4-yl)methyl]-4-methylpiperidin-4-ol (PubChem CID 81114923) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-[(1-ethylpyrazol-4-yl)methyl]-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[(1-ethylpyrazol-4-yl)methyl]-4-methylpiperidin-4-ol
PubChem CID81114923
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name1-[(1-ethylpyrazol-4-yl)methyl]-4-methylpiperidin-4-ol
SMILESCCn1cc(CN2CCC(C)(O)CC2)cn1
InChIInChI=1S/C12H21N3O/c1-3-15-10-11(8-13-15)9-14-6-4-12(2,16)5-7-14/h8,10,16H,3-7,9H2,1-2H3
InChIKeyBLOBLCHFBWNTTF-UHFFFAOYSA-N
XLogP1.25
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
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-ethylpyrazol-4-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120780625
1-[(3R)-8-[(1-ethylpyrazol-4-yl)methyl]-3-(hydroxymethyl)-3-methyl-2,8-diazaspiro[4.5]decan-2-yl]ethanone
CID 124952937
2-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]ethanethioamide
CID 63336434
2-[(1-ethylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120906680
2-[(1-ethylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane
CID 120907844
1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-ol
CID 116799436
4-[(1-ethylpyrazol-4-yl)methyl]-1-propylazepan-4-ol
CID 65077667
1-(2-chloroethyl)-4-[(1-ethylpyrazol-4-yl)methyl]-1,4-diazepane
CID 63388085
2-[9-[(1-ethylpyrazol-4-yl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetic acid
CID 70782523
1-[9-[(1-ethylpyrazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-2-methylsulfanylethanone
CID 131940633
3-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-2-methylpropan-1-amine
CID 55041230
2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]ethanamine
CID 62126920

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylpyrazol-4-yl)methyl]-4-methylpiperidin-4-ol?
The IUPAC name of 1-[(1-ethylpyrazol-4-yl)methyl]-4-methylpiperidin-4-ol (CID 81114923) is 1-[(1-ethylpyrazol-4-yl)methyl]-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-[(1-ethylpyrazol-4-yl)methyl]-4-methylpiperidin-4-ol?
The canonical SMILES for 1-[(1-ethylpyrazol-4-yl)methyl]-4-methylpiperidin-4-ol is CCn1cc(CN2CCC(C)(O)CC2)cn1.
What is the InChIKey of 1-[(1-ethylpyrazol-4-yl)methyl]-4-methylpiperidin-4-ol?
The InChIKey is BLOBLCHFBWNTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-3-15-10-11(8-13-15)9-14-6-4-12(2,16)5-7-14/h8,10,16H,3-7,9H2,1-2H3.
What are the key properties of 1-[(1-ethylpyrazol-4-yl)methyl]-4-methylpiperidin-4-ol?
1-[(1-ethylpyrazol-4-yl)methyl]-4-methylpiperidin-4-ol has a molecular weight of 223.32 g/mol, XLogP of 1.25, 3 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]-4-methylpiperidin-4-ol is sourced from PubChem (CID 81114923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).