(2S,6R)-2,6-dimethyl-1-(oxetan-3-yl)-4-propan-2-ylpiperazine

C12H24N2O — CID 142561847

IUPAC(2S,6R)-2,6-dimethyl-1-(oxetan-3-yl)-4-propan-2-ylpiperazine
SMILESCC(C)N1C[C@@H](C)N(C2COC2)[C@@H](C)C1
InChIInChI=1S/C12H24N2O/c1-9(2)13-5-10(3)14(11(4)6-13)12-7-15-8-12/h9-12H,5-8H2,1-4H3/t10-,11+
InChIKeyDMKACSFGWHPBBM-PHIMTYICSA-N
MW212.34 g/mol
LogP1.19
Rot. Bonds2

About (2S,6R)-2,6-dimethyl-1-(oxetan-3-yl)-4-propan-2-ylpiperazine

(2S,6R)-2,6-dimethyl-1-(oxetan-3-yl)-4-propan-2-ylpiperazine (PubChem CID 142561847) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is (2S,6R)-2,6-dimethyl-1-(oxetan-3-yl)-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name(2S,6R)-2,6-dimethyl-1-(oxetan-3-yl)-4-propan-2-ylpiperazine
PubChem CID142561847
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name(2S,6R)-2,6-dimethyl-1-(oxetan-3-yl)-4-propan-2-ylpiperazine
SMILESCC(C)N1C[C@@H](C)N(C2COC2)[C@@H](C)C1
InChIInChI=1S/C12H24N2O/c1-9(2)13-5-10(3)14(11(4)6-13)12-7-15-8-12/h9-12H,5-8H2,1-4H3/t10-,11+
InChIKeyDMKACSFGWHPBBM-PHIMTYICSA-N
XLogP1.19
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7,9-di(propan-2-yl)-3-oxa-7,9-diazabicyclo[3.3.1]nonane
CID 146275691
3,4-dimethyl-1-propan-2-ylpyrrolidine
CID 20737893
(2S,6R)-2,6-dimethyl-1-(oxetan-3-yl)-4-propan-2-ylpiperazine;(2S,6R)-2,6-dimethyl-4-propan-2-ylmorpholine;(2R)-1,2-dimethyl-4-propan-2-ylpiperazine;(2S)-1,2-dimethyl-4-propan-2-ylpiperazine;1-methylidene-4-propan-2-yl-1,4-thiazinane 1-oxide;(2R)-2-methyl-4-(oxetan-3-yl)-1-propan-2-ylpiperazine;(2S)-2-methyl-4-(oxetan-3-yl)-1-propan-2-ylpiperazine
CID 159793015
(3R,6R)-3,6-dimethyl-1-propan-2-ylazepane
CID 174341942
11-propan-2-yl-8-oxa-11-azabicyclo[4.3.3]dodecane
CID 167139033
(2-methyl-4-propan-2-ylpiperazin-1-yl)methanethiol
CID 167106909
(2R,7R)-1,2,7-trimethyl-4-propan-2-yl-1,4-diazepane
CID 176748171
5-methyl-2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 129015187
8-propan-2-yl-3-oxa-8-azabicyclo[3.2.1]octane
CID 58110399
(3aR,6aS)-5-methyl-2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 166871486
3,5-dimethyl-1,4-di(propan-2-yl)piperidine
CID 171506139
2,6,7-trimethyl-4-propan-2-yl-1,4-oxazepane
CID 176594257

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2,6-dimethyl-1-(oxetan-3-yl)-4-propan-2-ylpiperazine?
The IUPAC name of (2S,6R)-2,6-dimethyl-1-(oxetan-3-yl)-4-propan-2-ylpiperazine (CID 142561847) is (2S,6R)-2,6-dimethyl-1-(oxetan-3-yl)-4-propan-2-ylpiperazine.
What is the SMILES notation for (2S,6R)-2,6-dimethyl-1-(oxetan-3-yl)-4-propan-2-ylpiperazine?
The canonical SMILES for (2S,6R)-2,6-dimethyl-1-(oxetan-3-yl)-4-propan-2-ylpiperazine is CC(C)N1C[C@@H](C)N(C2COC2)[C@@H](C)C1.
What is the InChIKey of (2S,6R)-2,6-dimethyl-1-(oxetan-3-yl)-4-propan-2-ylpiperazine?
The InChIKey is DMKACSFGWHPBBM-PHIMTYICSA-N. The full InChI is InChI=1S/C12H24N2O/c1-9(2)13-5-10(3)14(11(4)6-13)12-7-15-8-12/h9-12H,5-8H2,1-4H3/t10-,11+.
What are the key properties of (2S,6R)-2,6-dimethyl-1-(oxetan-3-yl)-4-propan-2-ylpiperazine?
(2S,6R)-2,6-dimethyl-1-(oxetan-3-yl)-4-propan-2-ylpiperazine has a molecular weight of 212.34 g/mol, XLogP of 1.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2,6-dimethyl-1-(oxetan-3-yl)-4-propan-2-ylpiperazine is sourced from PubChem (CID 142561847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).