3-(1-methylpyrazol-4-yl)-1-piperidin-2-ylpropan-1-ol

C12H21N3O — CID 106634544

IUPAC3-(1-methylpyrazol-4-yl)-1-piperidin-2-ylpropan-1-ol
SMILESCn1cc(CCC(O)C2CCCCN2)cn1
InChIInChI=1S/C12H21N3O/c1-15-9-10(8-14-15)5-6-12(16)11-4-2-3-7-13-11/h8-9,11-13,16H,2-7H2,1H3
InChIKeyKUKXQYICDZLAFS-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.86
Rot. Bonds4

About 3-(1-methylpyrazol-4-yl)-1-piperidin-2-ylpropan-1-ol

3-(1-methylpyrazol-4-yl)-1-piperidin-2-ylpropan-1-ol (PubChem CID 106634544) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)-1-piperidin-2-ylpropan-1-ol.

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)-1-piperidin-2-ylpropan-1-ol
PubChem CID106634544
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name3-(1-methylpyrazol-4-yl)-1-piperidin-2-ylpropan-1-ol
SMILESCn1cc(CCC(O)C2CCCCN2)cn1
InChIInChI=1S/C12H21N3O/c1-15-9-10(8-14-15)5-6-12(16)11-4-2-3-7-13-11/h8-9,11-13,16H,2-7H2,1H3
InChIKeyKUKXQYICDZLAFS-UHFFFAOYSA-N
XLogP0.86
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methylcyclopentyl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 107193091
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 103027909
1-(2-methylcyclopropyl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 103008226
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 103008489
1-cycloheptyl-4-(1-methylpyrazol-4-yl)butan-2-ol
CID 103027790
1-cyclopropyl-4-(1-methylpyrazol-4-yl)butan-2-ol
CID 103008389
[1-cycloheptyl-3-(1-methylpyrazol-4-yl)propyl]hydrazine
CID 103025788
7-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]-3-propan-2-yl-1,4-diazepane
CID 103016723
1-cycloheptyl-2-(1-methylpyrazol-4-yl)ethanol
CID 65398921
1-cyclopropyl-1-ethoxy-4-(1-methylpyrazol-4-yl)butan-2-ol
CID 103008567
4-ethoxy-1-(1-methylpyrazol-4-yl)pentan-3-ol
CID 103008145
1-cyclopropyl-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 63354994

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)-1-piperidin-2-ylpropan-1-ol?
The IUPAC name of 3-(1-methylpyrazol-4-yl)-1-piperidin-2-ylpropan-1-ol (CID 106634544) is 3-(1-methylpyrazol-4-yl)-1-piperidin-2-ylpropan-1-ol.
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)-1-piperidin-2-ylpropan-1-ol?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)-1-piperidin-2-ylpropan-1-ol is Cn1cc(CCC(O)C2CCCCN2)cn1.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)-1-piperidin-2-ylpropan-1-ol?
The InChIKey is KUKXQYICDZLAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-15-9-10(8-14-15)5-6-12(16)11-4-2-3-7-13-11/h8-9,11-13,16H,2-7H2,1H3.
What are the key properties of 3-(1-methylpyrazol-4-yl)-1-piperidin-2-ylpropan-1-ol?
3-(1-methylpyrazol-4-yl)-1-piperidin-2-ylpropan-1-ol has a molecular weight of 223.32 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-4-yl)-1-piperidin-2-ylpropan-1-ol is sourced from PubChem (CID 106634544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).