2-[(2,6-dimethylpiperazin-1-yl)methyl]-4-propan-2-ylmorpholine

C14H29N3O — CID 64532749

IUPAC2-[(2,6-dimethylpiperazin-1-yl)methyl]-4-propan-2-ylmorpholine
SMILESCC(C)N1CCOC(CN2C(C)CNCC2C)C1
InChIInChI=1S/C14H29N3O/c1-11(2)16-5-6-18-14(9-16)10-17-12(3)7-15-8-13(17)4/h11-15H,5-10H2,1-4H3
InChIKeyHCPPSTLCHULKPX-UHFFFAOYSA-N
MW255.41 g/mol
LogP0.78
Rot. Bonds3

About 2-[(2,6-dimethylpiperazin-1-yl)methyl]-4-propan-2-ylmorpholine

2-[(2,6-dimethylpiperazin-1-yl)methyl]-4-propan-2-ylmorpholine (PubChem CID 64532749) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 2-[(2,6-dimethylpiperazin-1-yl)methyl]-4-propan-2-ylmorpholine.

Molecular Properties

Compound Name2-[(2,6-dimethylpiperazin-1-yl)methyl]-4-propan-2-ylmorpholine
PubChem CID64532749
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name2-[(2,6-dimethylpiperazin-1-yl)methyl]-4-propan-2-ylmorpholine
SMILESCC(C)N1CCOC(CN2C(C)CNCC2C)C1
InChIInChI=1S/C14H29N3O/c1-11(2)16-5-6-18-14(9-16)10-17-12(3)7-15-8-13(17)4/h11-15H,5-10H2,1-4H3
InChIKeyHCPPSTLCHULKPX-UHFFFAOYSA-N
XLogP0.78
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-methylpiperazin-1-yl)methyl]-4-propan-2-ylmorpholine
CID 64535348
[5-methyl-4-[(4-propan-2-ylmorpholin-2-yl)methyl]morpholin-2-yl]methanol
CID 114286891
4-propan-2-yl-2-propylmorpholine
CID 118118152
(2S)-4-propan-2-yl-2-(propan-2-yloxymethyl)morpholine
CID 174286235
ethane;2-(methoxymethyl)-4-propan-2-ylmorpholine
CID 164585009
2-(2-piperidin-1-ylpropyl)-4-propan-2-ylmorpholine
CID 170192715
4-methyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperidin-3-amine
CID 64532750
(2S)-2-[[4-(2,2-dimethylpropyl)piperazin-1-yl]methyl]-4-propan-2-ylmorpholine
CID 153485962
2-[(4-propan-2-ylmorpholin-2-yl)methyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79091379
4-propan-2-yl-2-(2,2,2-trifluoroethyl)morpholine
CID 146614610
2-(4-propan-2-ylmorpholin-2-yl)acetonitrile
CID 64534117
2-[[2-(chloromethyl)-3-methylpyrrolidin-1-yl]methyl]-4-propan-2-ylmorpholine
CID 102785155

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dimethylpiperazin-1-yl)methyl]-4-propan-2-ylmorpholine?
The IUPAC name of 2-[(2,6-dimethylpiperazin-1-yl)methyl]-4-propan-2-ylmorpholine (CID 64532749) is 2-[(2,6-dimethylpiperazin-1-yl)methyl]-4-propan-2-ylmorpholine.
What is the SMILES notation for 2-[(2,6-dimethylpiperazin-1-yl)methyl]-4-propan-2-ylmorpholine?
The canonical SMILES for 2-[(2,6-dimethylpiperazin-1-yl)methyl]-4-propan-2-ylmorpholine is CC(C)N1CCOC(CN2C(C)CNCC2C)C1.
What is the InChIKey of 2-[(2,6-dimethylpiperazin-1-yl)methyl]-4-propan-2-ylmorpholine?
The InChIKey is HCPPSTLCHULKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-11(2)16-5-6-18-14(9-16)10-17-12(3)7-15-8-13(17)4/h11-15H,5-10H2,1-4H3.
What are the key properties of 2-[(2,6-dimethylpiperazin-1-yl)methyl]-4-propan-2-ylmorpholine?
2-[(2,6-dimethylpiperazin-1-yl)methyl]-4-propan-2-ylmorpholine has a molecular weight of 255.41 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dimethylpiperazin-1-yl)methyl]-4-propan-2-ylmorpholine is sourced from PubChem (CID 64532749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).