ethane;(2R)-2,4,6-trimethyl-1-propan-2-ylpiperazine

C12H28N2 — CID 171506336

IUPACethane;(2R)-2,4,6-trimethyl-1-propan-2-ylpiperazine
SMILESCC.CC(C)N1C(C)CN(C)C[C@H]1C
InChIInChI=1S/C10H22N2.C2H6/c1-8(2)12-9(3)6-11(5)7-10(12)4;1-2/h8-10H,6-7H2,1-5H3;1-2H3/t9-,10?;/m1./s1
InChIKeyHJAMSLBARSDOCK-UVUXOWFKSA-N
MW200.37 g/mol
LogP2.45
Rot. Bonds1

About ethane;(2R)-2,4,6-trimethyl-1-propan-2-ylpiperazine

ethane;(2R)-2,4,6-trimethyl-1-propan-2-ylpiperazine (PubChem CID 171506336) has the molecular formula C12H28N2 and a molecular weight of 200.37 g/mol. Its IUPAC name is ethane;(2R)-2,4,6-trimethyl-1-propan-2-ylpiperazine.

Molecular Properties

Compound Nameethane;(2R)-2,4,6-trimethyl-1-propan-2-ylpiperazine
PubChem CID171506336
Molecular FormulaC12H28N2
Molecular Weight200.37 g/mol
Exact Mass200.23
IUPAC Nameethane;(2R)-2,4,6-trimethyl-1-propan-2-ylpiperazine
SMILESCC.CC(C)N1C(C)CN(C)C[C@H]1C
InChIInChI=1S/C10H22N2.C2H6/c1-8(2)12-9(3)6-11(5)7-10(12)4;1-2/h8-10H,6-7H2,1-5H3;1-2H3/t9-,10?;/m1./s1
InChIKeyHJAMSLBARSDOCK-UVUXOWFKSA-N
XLogP2.45
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,5R)-2,5-dimethyl-1-propan-2-ylpyrrolidine
CID 58977160
2,4-dimethyl-1-propan-2-yl-6-(trifluoromethyl)piperazine
CID 176871806
1,2,4,6-tetramethylpiperazine
CID 22088083
(2R,6R)-2,6-dimethyl-1-propan-2-ylpiperidine
CID 130875650
(2S,6R)-4-ethyl-2,6-dimethyl-1-propan-2-ylpiperazine
CID 135218538
1-(3,5-dimethyl-4-propan-2-ylpiperazin-1-yl)ethanone
CID 163675775
1,4-dimethylpiperazine;1,2,4,6-tetramethylpiperazine
CID 145359849
propane;(2R)-1,2,4,6-tetramethylpiperazine
CID 143144472
(2S,3R)-2,3-dimethyl-1,4-di(propan-2-yl)piperazine;bis((2S,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine)
CID 161123117
(3R,5S)-N,N,3,5-tetramethyl-4-propan-2-ylpiperazine-1-carboxamide
CID 146478698
(2S,3S)-2,3-dimethyl-1,4-di(propan-2-yl)piperazine;(2S,6S)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine;(2R,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine
CID 161123115
2,4,6-trimethyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine
CID 170616944

Frequently Asked Questions

What is the IUPAC name of ethane;(2R)-2,4,6-trimethyl-1-propan-2-ylpiperazine?
The IUPAC name of ethane;(2R)-2,4,6-trimethyl-1-propan-2-ylpiperazine (CID 171506336) is ethane;(2R)-2,4,6-trimethyl-1-propan-2-ylpiperazine.
What is the SMILES notation for ethane;(2R)-2,4,6-trimethyl-1-propan-2-ylpiperazine?
The canonical SMILES for ethane;(2R)-2,4,6-trimethyl-1-propan-2-ylpiperazine is CC.CC(C)N1C(C)CN(C)C[C@H]1C.
What is the InChIKey of ethane;(2R)-2,4,6-trimethyl-1-propan-2-ylpiperazine?
The InChIKey is HJAMSLBARSDOCK-UVUXOWFKSA-N. The full InChI is InChI=1S/C10H22N2.C2H6/c1-8(2)12-9(3)6-11(5)7-10(12)4;1-2/h8-10H,6-7H2,1-5H3;1-2H3/t9-,10?;/m1./s1.
What are the key properties of ethane;(2R)-2,4,6-trimethyl-1-propan-2-ylpiperazine?
ethane;(2R)-2,4,6-trimethyl-1-propan-2-ylpiperazine has a molecular weight of 200.37 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2R)-2,4,6-trimethyl-1-propan-2-ylpiperazine is sourced from PubChem (CID 171506336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).