(3S,4S)-4-(3,4,5-trimethylpyrazol-1-yl)piperidin-3-ol

C11H19N3O — CID 170445508

IUPAC(3S,4S)-4-(3,4,5-trimethylpyrazol-1-yl)piperidin-3-ol
SMILESCc1nn([C@H]2CCNC[C@@H]2O)c(C)c1C
InChIInChI=1S/C11H19N3O/c1-7-8(2)13-14(9(7)3)10-4-5-12-6-11(10)15/h10-12,15H,4-6H2,1-3H3/t10-,11-/m0/s1
InChIKeyWKJSSXCQNGOXBT-QWRGUYRKSA-N
MW209.29 g/mol
LogP0.70
Rot. Bonds1

About (3S,4S)-4-(3,4,5-trimethylpyrazol-1-yl)piperidin-3-ol

(3S,4S)-4-(3,4,5-trimethylpyrazol-1-yl)piperidin-3-ol (PubChem CID 170445508) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is (3S,4S)-4-(3,4,5-trimethylpyrazol-1-yl)piperidin-3-ol.

Molecular Properties

Compound Name(3S,4S)-4-(3,4,5-trimethylpyrazol-1-yl)piperidin-3-ol
PubChem CID170445508
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name(3S,4S)-4-(3,4,5-trimethylpyrazol-1-yl)piperidin-3-ol
SMILESCc1nn([C@H]2CCNC[C@@H]2O)c(C)c1C
InChIInChI=1S/C11H19N3O/c1-7-8(2)13-14(9(7)3)10-4-5-12-6-11(10)15/h10-12,15H,4-6H2,1-3H3/t10-,11-/m0/s1
InChIKeyWKJSSXCQNGOXBT-QWRGUYRKSA-N
XLogP0.70
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-(3,4,5-trimethylpyrazol-1-yl)piperidin-3-ol?
The IUPAC name of (3S,4S)-4-(3,4,5-trimethylpyrazol-1-yl)piperidin-3-ol (CID 170445508) is (3S,4S)-4-(3,4,5-trimethylpyrazol-1-yl)piperidin-3-ol.
What is the SMILES notation for (3S,4S)-4-(3,4,5-trimethylpyrazol-1-yl)piperidin-3-ol?
The canonical SMILES for (3S,4S)-4-(3,4,5-trimethylpyrazol-1-yl)piperidin-3-ol is Cc1nn([C@H]2CCNC[C@@H]2O)c(C)c1C.
What is the InChIKey of (3S,4S)-4-(3,4,5-trimethylpyrazol-1-yl)piperidin-3-ol?
The InChIKey is WKJSSXCQNGOXBT-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H19N3O/c1-7-8(2)13-14(9(7)3)10-4-5-12-6-11(10)15/h10-12,15H,4-6H2,1-3H3/t10-,11-/m0/s1.
What are the key properties of (3S,4S)-4-(3,4,5-trimethylpyrazol-1-yl)piperidin-3-ol?
(3S,4S)-4-(3,4,5-trimethylpyrazol-1-yl)piperidin-3-ol has a molecular weight of 209.29 g/mol, XLogP of 0.70, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-(3,4,5-trimethylpyrazol-1-yl)piperidin-3-ol is sourced from PubChem (CID 170445508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).