(2R,6S)-2-methyl-6-(1-methylpyrazol-4-yl)-4-propan-2-ylmorpholine

C12H21N3O — CID 168887975

IUPAC(2R,6S)-2-methyl-6-(1-methylpyrazol-4-yl)-4-propan-2-ylmorpholine
SMILESCC(C)N1C[C@@H](C)O[C@@H](c2cnn(C)c2)C1
InChIInChI=1S/C12H21N3O/c1-9(2)15-6-10(3)16-12(8-15)11-5-13-14(4)7-11/h5,7,9-10,12H,6,8H2,1-4H3/t10-,12-/m1/s1
InChIKeyGNRYLTIEAMLYRZ-ZYHUDNBSSA-N
MW223.32 g/mol
LogP1.59
Rot. Bonds2

About (2R,6S)-2-methyl-6-(1-methylpyrazol-4-yl)-4-propan-2-ylmorpholine

(2R,6S)-2-methyl-6-(1-methylpyrazol-4-yl)-4-propan-2-ylmorpholine (PubChem CID 168887975) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is (2R,6S)-2-methyl-6-(1-methylpyrazol-4-yl)-4-propan-2-ylmorpholine.

Molecular Properties

Compound Name(2R,6S)-2-methyl-6-(1-methylpyrazol-4-yl)-4-propan-2-ylmorpholine
PubChem CID168887975
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name(2R,6S)-2-methyl-6-(1-methylpyrazol-4-yl)-4-propan-2-ylmorpholine
SMILESCC(C)N1C[C@@H](C)O[C@@H](c2cnn(C)c2)C1
InChIInChI=1S/C12H21N3O/c1-9(2)15-6-10(3)16-12(8-15)11-5-13-14(4)7-11/h5,7,9-10,12H,6,8H2,1-4H3/t10-,12-/m1/s1
InChIKeyGNRYLTIEAMLYRZ-ZYHUDNBSSA-N
XLogP1.59
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,6S)-2-methyl-6-(1-methylpyrazol-4-yl)-4-propan-2-ylmorpholine?
The IUPAC name of (2R,6S)-2-methyl-6-(1-methylpyrazol-4-yl)-4-propan-2-ylmorpholine (CID 168887975) is (2R,6S)-2-methyl-6-(1-methylpyrazol-4-yl)-4-propan-2-ylmorpholine.
What is the SMILES notation for (2R,6S)-2-methyl-6-(1-methylpyrazol-4-yl)-4-propan-2-ylmorpholine?
The canonical SMILES for (2R,6S)-2-methyl-6-(1-methylpyrazol-4-yl)-4-propan-2-ylmorpholine is CC(C)N1C[C@@H](C)O[C@@H](c2cnn(C)c2)C1.
What is the InChIKey of (2R,6S)-2-methyl-6-(1-methylpyrazol-4-yl)-4-propan-2-ylmorpholine?
The InChIKey is GNRYLTIEAMLYRZ-ZYHUDNBSSA-N. The full InChI is InChI=1S/C12H21N3O/c1-9(2)15-6-10(3)16-12(8-15)11-5-13-14(4)7-11/h5,7,9-10,12H,6,8H2,1-4H3/t10-,12-/m1/s1.
What are the key properties of (2R,6S)-2-methyl-6-(1-methylpyrazol-4-yl)-4-propan-2-ylmorpholine?
(2R,6S)-2-methyl-6-(1-methylpyrazol-4-yl)-4-propan-2-ylmorpholine has a molecular weight of 223.32 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-2-methyl-6-(1-methylpyrazol-4-yl)-4-propan-2-ylmorpholine is sourced from PubChem (CID 168887975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).