1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-4-methylpiperidin-4-ol

C12H20ClN3O — CID 81116475

IUPAC1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-4-methylpiperidin-4-ol
SMILESCc1nn(C)c(CN2CCC(C)(O)CC2)c1Cl
InChIInChI=1S/C12H20ClN3O/c1-9-11(13)10(15(3)14-9)8-16-6-4-12(2,17)5-7-16/h17H,4-8H2,1-3H3
InChIKeyUUORPEWYXYJFNX-UHFFFAOYSA-N
MW257.76 g/mol
LogP1.73
Rot. Bonds2

About 1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-4-methylpiperidin-4-ol

1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-4-methylpiperidin-4-ol (PubChem CID 81116475) has the molecular formula C12H20ClN3O and a molecular weight of 257.76 g/mol. Its IUPAC name is 1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-4-methylpiperidin-4-ol
PubChem CID81116475
Molecular FormulaC12H20ClN3O
Molecular Weight257.76 g/mol
Exact Mass257.13
IUPAC Name1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-4-methylpiperidin-4-ol
SMILESCc1nn(C)c(CN2CCC(C)(O)CC2)c1Cl
InChIInChI=1S/C12H20ClN3O/c1-9-11(13)10(15(3)14-9)8-16-6-4-12(2,17)5-7-16/h17H,4-8H2,1-3H3
InChIKeyUUORPEWYXYJFNX-UHFFFAOYSA-N
XLogP1.73
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-4-methylpiperidin-4-ol?
The IUPAC name of 1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-4-methylpiperidin-4-ol (CID 81116475) is 1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-4-methylpiperidin-4-ol?
The canonical SMILES for 1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-4-methylpiperidin-4-ol is Cc1nn(C)c(CN2CCC(C)(O)CC2)c1Cl.
What is the InChIKey of 1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-4-methylpiperidin-4-ol?
The InChIKey is UUORPEWYXYJFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3O/c1-9-11(13)10(15(3)14-9)8-16-6-4-12(2,17)5-7-16/h17H,4-8H2,1-3H3.
What are the key properties of 1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-4-methylpiperidin-4-ol?
1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-4-methylpiperidin-4-ol has a molecular weight of 257.76 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-4-methylpiperidin-4-ol is sourced from PubChem (CID 81116475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).