[4-(2,6-dimethylmorpholin-4-yl)piperidin-1-yl]-phenylmethanone

C18H26N2O2 — CID 660329

IUPAC[4-(2,6-dimethylmorpholin-4-yl)piperidin-1-yl]-phenylmethanone
SMILESCC1CN(C2CCN(C(=O)c3ccccc3)CC2)CC(C)O1
InChIInChI=1S/C18H26N2O2/c1-14-12-20(13-15(2)22-14)17-8-10-19(11-9-17)18(21)16-6-4-3-5-7-16/h3-7,14-15,17H,8-13H2,1-2H3
InChIKeyOJSQJYYLFNJTIJ-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.40
Rot. Bonds2

About [4-(2,6-dimethylmorpholin-4-yl)piperidin-1-yl]-phenylmethanone

[4-(2,6-dimethylmorpholin-4-yl)piperidin-1-yl]-phenylmethanone (PubChem CID 660329) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is [4-(2,6-dimethylmorpholin-4-yl)piperidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-(2,6-dimethylmorpholin-4-yl)piperidin-1-yl]-phenylmethanone
PubChem CID660329
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name[4-(2,6-dimethylmorpholin-4-yl)piperidin-1-yl]-phenylmethanone
SMILESCC1CN(C2CCN(C(=O)c3ccccc3)CC2)CC(C)O1
InChIInChI=1S/C18H26N2O2/c1-14-12-20(13-15(2)22-14)17-8-10-19(11-9-17)18(21)16-6-4-3-5-7-16/h3-7,14-15,17H,8-13H2,1-2H3
InChIKeyOJSQJYYLFNJTIJ-UHFFFAOYSA-N
XLogP2.40
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(2,6-dimethylmorpholin-4-yl)piperidin-1-yl]-phenylmethanone?
The IUPAC name of [4-(2,6-dimethylmorpholin-4-yl)piperidin-1-yl]-phenylmethanone (CID 660329) is [4-(2,6-dimethylmorpholin-4-yl)piperidin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-(2,6-dimethylmorpholin-4-yl)piperidin-1-yl]-phenylmethanone?
The canonical SMILES for [4-(2,6-dimethylmorpholin-4-yl)piperidin-1-yl]-phenylmethanone is CC1CN(C2CCN(C(=O)c3ccccc3)CC2)CC(C)O1.
What is the InChIKey of [4-(2,6-dimethylmorpholin-4-yl)piperidin-1-yl]-phenylmethanone?
The InChIKey is OJSQJYYLFNJTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-14-12-20(13-15(2)22-14)17-8-10-19(11-9-17)18(21)16-6-4-3-5-7-16/h3-7,14-15,17H,8-13H2,1-2H3.
What are the key properties of [4-(2,6-dimethylmorpholin-4-yl)piperidin-1-yl]-phenylmethanone?
[4-(2,6-dimethylmorpholin-4-yl)piperidin-1-yl]-phenylmethanone has a molecular weight of 302.42 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,6-dimethylmorpholin-4-yl)piperidin-1-yl]-phenylmethanone is sourced from PubChem (CID 660329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).