1-[[4-[(1-tert-butylazetidin-3-yl)methyl]morpholin-2-yl]methyl]-N,N-dimethylpiperidin-4-amine

C20H40N4O — CID 167292167

IUPAC1-[[4-[(1-tert-butylazetidin-3-yl)methyl]morpholin-2-yl]methyl]-N,N-dimethylpiperidin-4-amine
SMILESCN(C)C1CCN(CC2CN(CC3CN(C(C)(C)C)C3)CCO2)CC1
InChIInChI=1S/C20H40N4O/c1-20(2,3)24-13-17(14-24)12-23-10-11-25-19(16-23)15-22-8-6-18(7-9-22)21(4)5/h17-19H,6-16H2,1-5H3
InChIKeyFIOGZKZVDLIXDF-UHFFFAOYSA-N
MW352.57 g/mol
LogP1.44
Rot. Bonds5

About 1-[[4-[(1-tert-butylazetidin-3-yl)methyl]morpholin-2-yl]methyl]-N,N-dimethylpiperidin-4-amine

1-[[4-[(1-tert-butylazetidin-3-yl)methyl]morpholin-2-yl]methyl]-N,N-dimethylpiperidin-4-amine (PubChem CID 167292167) has the molecular formula C20H40N4O and a molecular weight of 352.57 g/mol. Its IUPAC name is 1-[[4-[(1-tert-butylazetidin-3-yl)methyl]morpholin-2-yl]methyl]-N,N-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[[4-[(1-tert-butylazetidin-3-yl)methyl]morpholin-2-yl]methyl]-N,N-dimethylpiperidin-4-amine
PubChem CID167292167
Molecular FormulaC20H40N4O
Molecular Weight352.57 g/mol
Exact Mass352.32
IUPAC Name1-[[4-[(1-tert-butylazetidin-3-yl)methyl]morpholin-2-yl]methyl]-N,N-dimethylpiperidin-4-amine
SMILESCN(C)C1CCN(CC2CN(CC3CN(C(C)(C)C)C3)CCO2)CC1
InChIInChI=1S/C20H40N4O/c1-20(2,3)24-13-17(14-24)12-23-10-11-25-19(16-23)15-22-8-6-18(7-9-22)21(4)5/h17-19H,6-16H2,1-5H3
InChIKeyFIOGZKZVDLIXDF-UHFFFAOYSA-N
XLogP1.44
TPSA22.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.57
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-[(1-tert-butylazetidin-3-yl)methyl]morpholin-2-yl]methyl]-N,N-dimethylpiperidin-4-amine?
The IUPAC name of 1-[[4-[(1-tert-butylazetidin-3-yl)methyl]morpholin-2-yl]methyl]-N,N-dimethylpiperidin-4-amine (CID 167292167) is 1-[[4-[(1-tert-butylazetidin-3-yl)methyl]morpholin-2-yl]methyl]-N,N-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[[4-[(1-tert-butylazetidin-3-yl)methyl]morpholin-2-yl]methyl]-N,N-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[[4-[(1-tert-butylazetidin-3-yl)methyl]morpholin-2-yl]methyl]-N,N-dimethylpiperidin-4-amine is CN(C)C1CCN(CC2CN(CC3CN(C(C)(C)C)C3)CCO2)CC1.
What is the InChIKey of 1-[[4-[(1-tert-butylazetidin-3-yl)methyl]morpholin-2-yl]methyl]-N,N-dimethylpiperidin-4-amine?
The InChIKey is FIOGZKZVDLIXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N4O/c1-20(2,3)24-13-17(14-24)12-23-10-11-25-19(16-23)15-22-8-6-18(7-9-22)21(4)5/h17-19H,6-16H2,1-5H3.
What are the key properties of 1-[[4-[(1-tert-butylazetidin-3-yl)methyl]morpholin-2-yl]methyl]-N,N-dimethylpiperidin-4-amine?
1-[[4-[(1-tert-butylazetidin-3-yl)methyl]morpholin-2-yl]methyl]-N,N-dimethylpiperidin-4-amine has a molecular weight of 352.57 g/mol, XLogP of 1.44, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[(1-tert-butylazetidin-3-yl)methyl]morpholin-2-yl]methyl]-N,N-dimethylpiperidin-4-amine is sourced from PubChem (CID 167292167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).