2,2-dimethyl-1-(oxan-2-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine

C14H25F3N2O — CID 75443701

IUPAC2,2-dimethyl-1-(oxan-2-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine
SMILESCC1(C)CN(CC(F)(F)F)CCN1CC1CCCCO1
InChIInChI=1S/C14H25F3N2O/c1-13(2)10-18(11-14(15,16)17)6-7-19(13)9-12-5-3-4-8-20-12/h12H,3-11H2,1-2H3
InChIKeyOJDBBGYXIIDWKD-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.51
Rot. Bonds3

About 2,2-dimethyl-1-(oxan-2-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine

2,2-dimethyl-1-(oxan-2-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine (PubChem CID 75443701) has the molecular formula C14H25F3N2O and a molecular weight of 294.36 g/mol. Its IUPAC name is 2,2-dimethyl-1-(oxan-2-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine.

Molecular Properties

Compound Name2,2-dimethyl-1-(oxan-2-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine
PubChem CID75443701
Molecular FormulaC14H25F3N2O
Molecular Weight294.36 g/mol
Exact Mass294.19
IUPAC Name2,2-dimethyl-1-(oxan-2-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine
SMILESCC1(C)CN(CC(F)(F)F)CCN1CC1CCCCO1
InChIInChI=1S/C14H25F3N2O/c1-13(2)10-18(11-14(15,16)17)6-7-19(13)9-12-5-3-4-8-20-12/h12H,3-11H2,1-2H3
InChIKeyOJDBBGYXIIDWKD-UHFFFAOYSA-N
XLogP2.51
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-Methoxyethyl)-4-(oxan-2-ylmethyl)piperazine
CID 53530223
1-[(1S,6R)-6-ethoxy-2,2-difluorocyclohexyl]-4-propan-2-ylpiperazine
CID 163428700
4,4-Difluoro-1-methyl-2-(propan-2-yloxymethyl)piperidine
CID 170689570
5,5-Difluoro-1-methyl-2-(propan-2-yloxymethyl)piperidine
CID 176568645
2-(Butan-2-yloxymethyl)-5,5-difluoro-1-methylpiperidine
CID 176927803
1-(Oxan-2-ylmethyl)-2-(trifluoromethyl)piperazine
CID 115101298
6,6,6-trifluoro-2-N,2-dimethyl-2-N-(oxan-2-ylmethyl)hexane-1,2-diamine
CID 116535198
1-isopropyl-4-((tetrahydro-2H-pyran-2-yl)methyl)piperazine
CID 53528212
1-methyl-4-((tetrahydro-2H-pyran-2-yl)methyl)piperazine
CID 124200346
1-Butan-2-yl-4-(oxan-2-ylmethyl)piperazine
CID 142404128
1-(2-Ethoxyethyl)-4-(oxan-2-ylmethyl)piperazine
CID 53591854
1-(2-Methoxyethyl)-2-methyl-4-(oxan-2-ylmethyl)piperazine
CID 53609818

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(oxan-2-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine?
The IUPAC name of 2,2-dimethyl-1-(oxan-2-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine (CID 75443701) is 2,2-dimethyl-1-(oxan-2-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine.
What is the SMILES notation for 2,2-dimethyl-1-(oxan-2-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine?
The canonical SMILES for 2,2-dimethyl-1-(oxan-2-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine is CC1(C)CN(CC(F)(F)F)CCN1CC1CCCCO1.
What is the InChIKey of 2,2-dimethyl-1-(oxan-2-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine?
The InChIKey is OJDBBGYXIIDWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2O/c1-13(2)10-18(11-14(15,16)17)6-7-19(13)9-12-5-3-4-8-20-12/h12H,3-11H2,1-2H3.
What are the key properties of 2,2-dimethyl-1-(oxan-2-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine?
2,2-dimethyl-1-(oxan-2-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine has a molecular weight of 294.36 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(oxan-2-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine is sourced from PubChem (CID 75443701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).