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

C12H21N3O — CID 110912836

IUPAC1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-ol
SMILESCc1nn(C)c(C)c1CN1CCC(O)CC1
InChIInChI=1S/C12H21N3O/c1-9-12(10(2)14(3)13-9)8-15-6-4-11(16)5-7-15/h11,16H,4-8H2,1-3H3
InChIKeyUCVQWZIBBOHAKX-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.99
Rot. Bonds2

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

1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-ol (PubChem CID 110912836) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-ol
PubChem CID110912836
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-ol
SMILESCc1nn(C)c(C)c1CN1CCC(O)CC1
InChIInChI=1S/C12H21N3O/c1-9-12(10(2)14(3)13-9)8-15-6-4-11(16)5-7-15/h11,16H,4-8H2,1-3H3
InChIKeyUCVQWZIBBOHAKX-UHFFFAOYSA-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

Analyze 1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-ol
CID 111123110
(3R)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-3-ol
CID 129488572
[1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-yl]methanamine
CID 19623264
3-[1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxypropan-1-amine
CID 79732713
N-ethyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-amine
CID 79238263
1-(4-hydroxypiperidin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 43416095
3-imidazol-1-yl-4-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine
CID 75514660
1-(azetidin-3-yl)-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine
CID 66201337
(5S,6S)-9-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1-oxa-9-azaspiro[4.5]decan-6-ol
CID 110156271
4-hydroxy-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-one
CID 79237900
1,3,5-trimethyl-4-[(3-propan-2-ylazetidin-1-yl)methyl]pyrazole
CID 155139116
[1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-3-yl]methanamine
CID 19623272

Frequently Asked Questions

What is the IUPAC name of 1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-ol?
The IUPAC name of 1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-ol (CID 110912836) is 1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-ol.
What is the SMILES notation for 1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-ol?
The canonical SMILES for 1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-ol is Cc1nn(C)c(C)c1CN1CCC(O)CC1.
What is the InChIKey of 1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-ol?
The InChIKey is UCVQWZIBBOHAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-9-12(10(2)14(3)13-9)8-15-6-4-11(16)5-7-15/h11,16H,4-8H2,1-3H3.
What are the key properties of 1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-ol?
1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-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 1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-ol is sourced from PubChem (CID 110912836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).