(3R,4R)-4-methyl-3-phenoxy-1-[(2-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-ol

C19H27N3O2 — CID 110146904

IUPAC(3R,4R)-4-methyl-3-phenoxy-1-[(2-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-ol
SMILESCC(C)n1nccc1CN1CC[C@@](C)(O)[C@H](Oc2ccccc2)C1
InChIInChI=1S/C19H27N3O2/c1-15(2)22-16(9-11-20-22)13-21-12-10-19(3,23)18(14-21)24-17-7-5-4-6-8-17/h4-9,11,15,18,23H,10,12-14H2,1-3H3/t18-,19-/m1/s1
InChIKeyAEANBCLVTKORAP-RTBURBONSA-N
MW329.44 g/mol
LogP2.87
Rot. Bonds5

About (3R,4R)-4-methyl-3-phenoxy-1-[(2-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-ol

(3R,4R)-4-methyl-3-phenoxy-1-[(2-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-ol (PubChem CID 110146904) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is (3R,4R)-4-methyl-3-phenoxy-1-[(2-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name(3R,4R)-4-methyl-3-phenoxy-1-[(2-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-ol
PubChem CID110146904
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name(3R,4R)-4-methyl-3-phenoxy-1-[(2-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-ol
SMILESCC(C)n1nccc1CN1CC[C@@](C)(O)[C@H](Oc2ccccc2)C1
InChIInChI=1S/C19H27N3O2/c1-15(2)22-16(9-11-20-22)13-21-12-10-19(3,23)18(14-21)24-17-7-5-4-6-8-17/h4-9,11,15,18,23H,10,12-14H2,1-3H3/t18-,19-/m1/s1
InChIKeyAEANBCLVTKORAP-RTBURBONSA-N
XLogP2.87
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-methyl-3-phenoxy-1-[(2-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-ol?
The IUPAC name of (3R,4R)-4-methyl-3-phenoxy-1-[(2-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-ol (CID 110146904) is (3R,4R)-4-methyl-3-phenoxy-1-[(2-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-ol.
What is the SMILES notation for (3R,4R)-4-methyl-3-phenoxy-1-[(2-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-ol?
The canonical SMILES for (3R,4R)-4-methyl-3-phenoxy-1-[(2-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-ol is CC(C)n1nccc1CN1CC[C@@](C)(O)[C@H](Oc2ccccc2)C1.
What is the InChIKey of (3R,4R)-4-methyl-3-phenoxy-1-[(2-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-ol?
The InChIKey is AEANBCLVTKORAP-RTBURBONSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-15(2)22-16(9-11-20-22)13-21-12-10-19(3,23)18(14-21)24-17-7-5-4-6-8-17/h4-9,11,15,18,23H,10,12-14H2,1-3H3/t18-,19-/m1/s1.
What are the key properties of (3R,4R)-4-methyl-3-phenoxy-1-[(2-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-ol?
(3R,4R)-4-methyl-3-phenoxy-1-[(2-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-ol has a molecular weight of 329.44 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-methyl-3-phenoxy-1-[(2-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-ol is sourced from PubChem (CID 110146904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).