[1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperidin-4-yl]-pyridin-3-ylmethanol

C18H26N4O — CID 171915677

IUPAC[1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperidin-4-yl]-pyridin-3-ylmethanol
SMILESCc1cc(C)n(CCN2CCC(C(O)c3cccnc3)CC2)n1
InChIInChI=1S/C18H26N4O/c1-14-12-15(2)22(20-14)11-10-21-8-5-16(6-9-21)18(23)17-4-3-7-19-13-17/h3-4,7,12-13,16,18,23H,5-6,8-11H2,1-2H3
InChIKeyZCZZOKIYRVDCPL-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.34
Rot. Bonds5

About [1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperidin-4-yl]-pyridin-3-ylmethanol

[1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperidin-4-yl]-pyridin-3-ylmethanol (PubChem CID 171915677) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is [1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperidin-4-yl]-pyridin-3-ylmethanol.

Molecular Properties

Compound Name[1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperidin-4-yl]-pyridin-3-ylmethanol
PubChem CID171915677
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name[1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperidin-4-yl]-pyridin-3-ylmethanol
SMILESCc1cc(C)n(CCN2CCC(C(O)c3cccnc3)CC2)n1
InChIInChI=1S/C18H26N4O/c1-14-12-15(2)22(20-14)11-10-21-8-5-16(6-9-21)18(23)17-4-3-7-19-13-17/h3-4,7,12-13,16,18,23H,5-6,8-11H2,1-2H3
InChIKeyZCZZOKIYRVDCPL-UHFFFAOYSA-N
XLogP2.34
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,5-dimethylpyrazol-1-yl)-N-(1-pyridin-3-ylethyl)propan-1-amine
CID 115886215
3-[1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]pyrrolidin-2-yl]pyridine
CID 136542565
[1-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperidin-4-yl]-pyridin-3-ylmethanol
CID 171913113
[1-(3-chloro-4-methylphenyl)pyrrolidin-3-yl]-pyridin-3-ylmethanol
CID 168920390
2-[4-[dimethylamino(pyridin-3-yl)methyl]piperidin-1-yl]ethanamine
CID 116907378
(S)-[1-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-pyridin-3-ylmethanol
CID 30876748
pyridin-3-yl-[1-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)piperidin-4-yl]methanol
CID 157013482
(R)-[1-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]piperidin-4-yl]-pyridin-3-ylmethanol
CID 25288969
6-[4-[hydroxy(pyridin-3-yl)methyl]piperidin-1-yl]-2,4-dimethylpyridine-3-carbonitrile
CID 162638514
[1-(6-aminopyrazin-2-yl)piperidin-4-yl]-pyridin-3-ylmethanol
CID 146044176
3-(3,5-dimethylpyrazol-1-yl)-N-pyridin-3-ylpropanamide
CID 15943466
1-(1-propylpiperidin-4-yl)-N-(1-pyridin-3-ylethyl)ethanamine
CID 43308271

Frequently Asked Questions

What is the IUPAC name of [1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperidin-4-yl]-pyridin-3-ylmethanol?
The IUPAC name of [1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperidin-4-yl]-pyridin-3-ylmethanol (CID 171915677) is [1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperidin-4-yl]-pyridin-3-ylmethanol.
What is the SMILES notation for [1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperidin-4-yl]-pyridin-3-ylmethanol?
The canonical SMILES for [1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperidin-4-yl]-pyridin-3-ylmethanol is Cc1cc(C)n(CCN2CCC(C(O)c3cccnc3)CC2)n1.
What is the InChIKey of [1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperidin-4-yl]-pyridin-3-ylmethanol?
The InChIKey is ZCZZOKIYRVDCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-14-12-15(2)22(20-14)11-10-21-8-5-16(6-9-21)18(23)17-4-3-7-19-13-17/h3-4,7,12-13,16,18,23H,5-6,8-11H2,1-2H3.
What are the key properties of [1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperidin-4-yl]-pyridin-3-ylmethanol?
[1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperidin-4-yl]-pyridin-3-ylmethanol has a molecular weight of 314.43 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperidin-4-yl]-pyridin-3-ylmethanol is sourced from PubChem (CID 171915677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).