(3R)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-3-ol

C12H21N3O — CID 129488572

IUPAC(3R)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-3-ol
SMILESCc1nn(C)c(C)c1CN1CCC[C@@H](O)C1
InChIInChI=1S/C12H21N3O/c1-9-12(10(2)14(3)13-9)8-15-6-4-5-11(16)7-15/h11,16H,4-8H2,1-3H3/t11-/m1/s1
InChIKeyVGRLLPXILNRIMD-LLVKDONJSA-N
MW223.32 g/mol
LogP0.99
Rot. Bonds2

About (3R)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-3-ol

(3R)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-3-ol (PubChem CID 129488572) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is (3R)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-3-ol
PubChem CID129488572
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name(3R)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-3-ol
SMILESCc1nn(C)c(C)c1CN1CCC[C@@H](O)C1
InChIInChI=1S/C12H21N3O/c1-9-12(10(2)14(3)13-9)8-15-6-4-5-11(16)7-15/h11,16H,4-8H2,1-3H3/t11-/m1/s1
InChIKeyVGRLLPXILNRIMD-LLVKDONJSA-N
XLogP0.99
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-ol
CID 111123110
1-[(5-amino-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-ol
CID 62207914
1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-ol
CID 110912836
[1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-3-yl]methanamine
CID 19623272
N-cyclopropyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-3-amine
CID 79238625
ethyl (3S)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-carboxylate
CID 42574885
ethyl 1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-carboxylate
CID 25247693
2-methyl-2-[1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-3-yl]propanoic acid
CID 83199001
1-cyclopropyl-3-[3-[(3R)-3-hydroxypiperidin-1-yl]propyl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea
CID 126445216
N-ethyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-amine
CID 79238263
4-hydroxy-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-one
CID 79237900
[1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-yl]methanamine
CID 19623264

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-3-ol?
The IUPAC name of (3R)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-3-ol (CID 129488572) is (3R)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-3-ol.
What is the SMILES notation for (3R)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-3-ol?
The canonical SMILES for (3R)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-3-ol is Cc1nn(C)c(C)c1CN1CCC[C@@H](O)C1.
What is the InChIKey of (3R)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-3-ol?
The InChIKey is VGRLLPXILNRIMD-LLVKDONJSA-N. The full InChI is InChI=1S/C12H21N3O/c1-9-12(10(2)14(3)13-9)8-15-6-4-5-11(16)7-15/h11,16H,4-8H2,1-3H3/t11-/m1/s1.
What are the key properties of (3R)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-3-ol?
(3R)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-3-ol has a molecular weight of 223.32 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-3-ol is sourced from PubChem (CID 129488572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).