(2R,6S)-4-[1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]piperidin-4-yl]-2,6-dimethylmorpholine

C19H32N4O — CID 70772971

IUPAC(2R,6S)-4-[1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]piperidin-4-yl]-2,6-dimethylmorpholine
SMILESC[C@@H]1CN(C2CCN(Cc3cnn(C)c3C3CC3)CC2)C[C@H](C)O1
InChIInChI=1S/C19H32N4O/c1-14-11-23(12-15(2)24-14)18-6-8-22(9-7-18)13-17-10-20-21(3)19(17)16-4-5-16/h10,14-16,18H,4-9,11-13H2,1-3H3/t14-,15+
InChIKeyYPUFNZDWFPYESQ-GASCZTMLSA-N
MW332.49 g/mol
LogP2.37
Rot. Bonds4

About (2R,6S)-4-[1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]piperidin-4-yl]-2,6-dimethylmorpholine

(2R,6S)-4-[1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]piperidin-4-yl]-2,6-dimethylmorpholine (PubChem CID 70772971) has the molecular formula C19H32N4O and a molecular weight of 332.49 g/mol. Its IUPAC name is (2R,6S)-4-[1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]piperidin-4-yl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2R,6S)-4-[1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]piperidin-4-yl]-2,6-dimethylmorpholine
PubChem CID70772971
Molecular FormulaC19H32N4O
Molecular Weight332.49 g/mol
Exact Mass332.26
IUPAC Name(2R,6S)-4-[1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]piperidin-4-yl]-2,6-dimethylmorpholine
SMILESC[C@@H]1CN(C2CCN(Cc3cnn(C)c3C3CC3)CC2)C[C@H](C)O1
InChIInChI=1S/C19H32N4O/c1-14-11-23(12-15(2)24-14)18-6-8-22(9-7-18)13-17-10-20-21(3)19(17)16-4-5-16/h10,14-16,18H,4-9,11-13H2,1-3H3/t14-,15+
InChIKeyYPUFNZDWFPYESQ-GASCZTMLSA-N
XLogP2.37
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,6S)-4-[1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]piperidin-4-yl]-2,6-dimethylmorpholine?
The IUPAC name of (2R,6S)-4-[1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]piperidin-4-yl]-2,6-dimethylmorpholine (CID 70772971) is (2R,6S)-4-[1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]piperidin-4-yl]-2,6-dimethylmorpholine.
What is the SMILES notation for (2R,6S)-4-[1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]piperidin-4-yl]-2,6-dimethylmorpholine?
The canonical SMILES for (2R,6S)-4-[1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]piperidin-4-yl]-2,6-dimethylmorpholine is C[C@@H]1CN(C2CCN(Cc3cnn(C)c3C3CC3)CC2)C[C@H](C)O1.
What is the InChIKey of (2R,6S)-4-[1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]piperidin-4-yl]-2,6-dimethylmorpholine?
The InChIKey is YPUFNZDWFPYESQ-GASCZTMLSA-N. The full InChI is InChI=1S/C19H32N4O/c1-14-11-23(12-15(2)24-14)18-6-8-22(9-7-18)13-17-10-20-21(3)19(17)16-4-5-16/h10,14-16,18H,4-9,11-13H2,1-3H3/t14-,15+.
What are the key properties of (2R,6S)-4-[1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]piperidin-4-yl]-2,6-dimethylmorpholine?
(2R,6S)-4-[1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]piperidin-4-yl]-2,6-dimethylmorpholine has a molecular weight of 332.49 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-4-[1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]piperidin-4-yl]-2,6-dimethylmorpholine is sourced from PubChem (CID 70772971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).