3-(1,4-dimethylpiperidin-2-yl)-5-(2-methylpropyl)-4-propylmorpholine

C18H36N2O — CID 123873169

IUPAC3-(1,4-dimethylpiperidin-2-yl)-5-(2-methylpropyl)-4-propylmorpholine
SMILESCCCN1C(CC(C)C)COCC1C1CC(C)CCN1C
InChIInChI=1S/C18H36N2O/c1-6-8-20-16(10-14(2)3)12-21-13-18(20)17-11-15(4)7-9-19(17)5/h14-18H,6-13H2,1-5H3
InChIKeyYSRHCWNFIYZVOE-UHFFFAOYSA-N
MW296.50 g/mol
LogP3.24
Rot. Bonds5

About 3-(1,4-dimethylpiperidin-2-yl)-5-(2-methylpropyl)-4-propylmorpholine

3-(1,4-dimethylpiperidin-2-yl)-5-(2-methylpropyl)-4-propylmorpholine (PubChem CID 123873169) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is 3-(1,4-dimethylpiperidin-2-yl)-5-(2-methylpropyl)-4-propylmorpholine.

Molecular Properties

Compound Name3-(1,4-dimethylpiperidin-2-yl)-5-(2-methylpropyl)-4-propylmorpholine
PubChem CID123873169
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC Name3-(1,4-dimethylpiperidin-2-yl)-5-(2-methylpropyl)-4-propylmorpholine
SMILESCCCN1C(CC(C)C)COCC1C1CC(C)CCN1C
InChIInChI=1S/C18H36N2O/c1-6-8-20-16(10-14(2)3)12-21-13-18(20)17-11-15(4)7-9-19(17)5/h14-18H,6-13H2,1-5H3
InChIKeyYSRHCWNFIYZVOE-UHFFFAOYSA-N
XLogP3.24
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1,4-dimethylpiperidin-2-yl)-5-(2-methylpropyl)-4-propylmorpholine?
The IUPAC name of 3-(1,4-dimethylpiperidin-2-yl)-5-(2-methylpropyl)-4-propylmorpholine (CID 123873169) is 3-(1,4-dimethylpiperidin-2-yl)-5-(2-methylpropyl)-4-propylmorpholine.
What is the SMILES notation for 3-(1,4-dimethylpiperidin-2-yl)-5-(2-methylpropyl)-4-propylmorpholine?
The canonical SMILES for 3-(1,4-dimethylpiperidin-2-yl)-5-(2-methylpropyl)-4-propylmorpholine is CCCN1C(CC(C)C)COCC1C1CC(C)CCN1C.
What is the InChIKey of 3-(1,4-dimethylpiperidin-2-yl)-5-(2-methylpropyl)-4-propylmorpholine?
The InChIKey is YSRHCWNFIYZVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-6-8-20-16(10-14(2)3)12-21-13-18(20)17-11-15(4)7-9-19(17)5/h14-18H,6-13H2,1-5H3.
What are the key properties of 3-(1,4-dimethylpiperidin-2-yl)-5-(2-methylpropyl)-4-propylmorpholine?
3-(1,4-dimethylpiperidin-2-yl)-5-(2-methylpropyl)-4-propylmorpholine has a molecular weight of 296.50 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4-dimethylpiperidin-2-yl)-5-(2-methylpropyl)-4-propylmorpholine is sourced from PubChem (CID 123873169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).