1,2-dimethyl-4-propan-2-ylpiperazine;3-ethyl-4-methyl-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;bis((2S,6R)-1,2,6-trimethyl-4-propan-2-ylpiperazine);(2R,6R)-1,2,6-trimethyl-4-propan-2-ylpiperazine

C58H127N11 — CID 157441301

IUPAC1,2-dimethyl-4-propan-2-ylpiperazine;3-ethyl-4-methyl-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;bis((2S,6R)-1,2,6-trimethyl-4-propan-2-ylpiperazine);(2R,6R)-1,2,6-trimethyl-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(C)CC1.CC(C)N1C[C@@H](C)N(C)[C@@H](C)C1.CC(C)N1C[C@@H](C)N(C)[C@@H](C)C1.CC(C)N1C[C@@H](C)N(C)[C@H](C)C1.CC1CN(C(C)C)CCN1C.CCC1CN(C(C)C)CCC1C
InChIInChI=1S/C11H23N.3C10H22N2.C9H20N2.C8H18N2/c1-5-11-8-12(9(2)3)7-6-10(11)4;3*1-8(2)12-6-9(3)11(5)10(4)7-12;1-8(2)11-6-5-10(4)9(3)7-11;1-8(2)10-6-4-9(3)5-7-10/h9-11H,5-8H2,1-4H3;3*8-10H,6-7H2,1-5H3;8-9H,5-7H2,1-4H3;8H,4-7H2,1-3H3/t;2*9-,10+;9-,10-;;/m...1../s1
InChIKeyBRSBGMGIGULXDF-OMJSPEBLSA-N
MW978.73 g/mol
LogP8.69
Rot. Bonds7

About 1,2-dimethyl-4-propan-2-ylpiperazine;3-ethyl-4-methyl-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;bis((2S,6R)-1,2,6-trimethyl-4-propan-2-ylpiperazine);(2R,6R)-1,2,6-trimethyl-4-propan-2-ylpiperazine

1,2-dimethyl-4-propan-2-ylpiperazine;3-ethyl-4-methyl-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;bis((2S,6R)-1,2,6-trimethyl-4-propan-2-ylpiperazine);(2R,6R)-1,2,6-trimethyl-4-propan-2-ylpiperazine (PubChem CID 157441301) has the molecular formula C58H127N11 and a molecular weight of 978.73 g/mol. Its IUPAC name is 1,2-dimethyl-4-propan-2-ylpiperazine;3-ethyl-4-methyl-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;bis((2S,6R)-1,2,6-trimethyl-4-propan-2-ylpiperazine);(2R,6R)-1,2,6-trimethyl-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1,2-dimethyl-4-propan-2-ylpiperazine;3-ethyl-4-methyl-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;bis((2S,6R)-1,2,6-trimethyl-4-propan-2-ylpiperazine);(2R,6R)-1,2,6-trimethyl-4-propan-2-ylpiperazine
PubChem CID157441301
Molecular FormulaC58H127N11
Molecular Weight978.73 g/mol
Exact Mass978.03
IUPAC Name1,2-dimethyl-4-propan-2-ylpiperazine;3-ethyl-4-methyl-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;bis((2S,6R)-1,2,6-trimethyl-4-propan-2-ylpiperazine);(2R,6R)-1,2,6-trimethyl-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(C)CC1.CC(C)N1C[C@@H](C)N(C)[C@@H](C)C1.CC(C)N1C[C@@H](C)N(C)[C@@H](C)C1.CC(C)N1C[C@@H](C)N(C)[C@H](C)C1.CC1CN(C(C)C)CCN1C.CCC1CN(C(C)C)CCC1C
InChIInChI=1S/C11H23N.3C10H22N2.C9H20N2.C8H18N2/c1-5-11-8-12(9(2)3)7-6-10(11)4;3*1-8(2)12-6-9(3)11(5)10(4)7-12;1-8(2)11-6-5-10(4)9(3)7-11;1-8(2)10-6-4-9(3)5-7-10/h9-11H,5-8H2,1-4H3;3*8-10H,6-7H2,1-5H3;8-9H,5-7H2,1-4H3;8H,4-7H2,1-3H3/t;2*9-,10+;9-,10-;;/m...1../s1
InChIKeyBRSBGMGIGULXDF-OMJSPEBLSA-N
XLogP8.69
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms69
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500978.73
LogP ≤ 58.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 1,2-dimethyl-4-propan-2-ylpiperazine;3-ethyl-4-methyl-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;bis((2S,6R)-1,2,6-trimethyl-4-propan-2-ylpiperazine);(2R,6R)-1,2,6-trimethyl-4-propan-2-ylpiperazine with MolForge

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Related Compounds

Bis(2,2-difluoro-1,4-di(propan-2-yl)piperidine);bis(3,3-difluoro-1,4-di(propan-2-yl)piperidine);1,4-di(propan-2-yl)piperazine;1,2-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)piperidine;bis(1,4-di(propan-2-yl)piperidine)
CID 164947690
Bis(2,2-difluoro-1,4-di(propan-2-yl)piperidine);bis(3,3-difluoro-1,4-di(propan-2-yl)piperidine);1,4-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)-2-(trifluoromethyl)piperidine;ethane;2-methyl-1,4-di(propan-2-yl)piperidine
CID 165014394
Bis(2,2-difluoro-1,4-di(propan-2-yl)piperidine);bis(3,3-difluoro-1,4-di(propan-2-yl)piperidine);bis(1,4-di(propan-2-yl)piperidine);ethane;2-fluoro-1,4-di(propan-2-yl)piperidine
CID 167660912
3-Methyl-1-[4-(3-methyl-1-azoniabicyclo[2.2.2]octan-1-yl)butyl]-1-azoniabicyclo[2.2.2]octane
CID 3063245
3-Methyl-1-[5-(3-methyl-1-azoniabicyclo[2.2.2]octan-1-yl)pentyl]-1-azoniabicyclo[2.2.2]octane
CID 3063455
3-Methyl-1-[7-(3-methyl-1-azoniabicyclo[2.2.2]octan-1-yl)heptyl]-1-azoniabicyclo[2.2.2]octane
CID 3063634
3-Methyl-1-[6-(3-methyl-1-azoniabicyclo[2.2.2]octan-1-yl)hexyl]-1-azoniabicyclo[2.2.2]octane
CID 3063691
2-(1-Azabicyclo[2.2.2]octan-3-yl)-1,4-diazabicyclo[2.2.2]octane
CID 18510463
1-Azabicyclo[2.2.2]octane;2-methyl-1,4-diazabicyclo[2.2.2]octane
CID 19351690
1-[1,3-Bis[4-(1,1-dimethylpiperidin-1-ium-4-yl)-1-methylpiperidin-1-ium-1-yl]propan-2-yl]-4-[1-[1,3-bis[4-(1,1-dimethylpiperidin-1-ium-4-yl)-1-methylpiperidin-1-ium-1-yl]propan-2-yl]-1-methylpiperidin-1-ium-4-yl]-1-methylpiperidin-1-ium
CID 54501538
1-Hexadecyl-4-[6-(4-hexadecyl-1,4-diazoniabicyclo[2.2.2]octan-1-yl)-2,3,4,5-tetramethylhexyl]-1,4-diazoniabicyclo[2.2.2]octane
CID 57831551
1-methyl-N-(1-methylpiperidin-4-yl)-N-[1,2,2-tris(1-methylpiperidin-4-yl)ethyl]piperidin-4-amine
CID 67680689

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-4-propan-2-ylpiperazine;3-ethyl-4-methyl-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;bis((2S,6R)-1,2,6-trimethyl-4-propan-2-ylpiperazine);(2R,6R)-1,2,6-trimethyl-4-propan-2-ylpiperazine?
The IUPAC name of 1,2-dimethyl-4-propan-2-ylpiperazine;3-ethyl-4-methyl-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;bis((2S,6R)-1,2,6-trimethyl-4-propan-2-ylpiperazine);(2R,6R)-1,2,6-trimethyl-4-propan-2-ylpiperazine (CID 157441301) is 1,2-dimethyl-4-propan-2-ylpiperazine;3-ethyl-4-methyl-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;bis((2S,6R)-1,2,6-trimethyl-4-propan-2-ylpiperazine);(2R,6R)-1,2,6-trimethyl-4-propan-2-ylpiperazine.
What is the SMILES notation for 1,2-dimethyl-4-propan-2-ylpiperazine;3-ethyl-4-methyl-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;bis((2S,6R)-1,2,6-trimethyl-4-propan-2-ylpiperazine);(2R,6R)-1,2,6-trimethyl-4-propan-2-ylpiperazine?
The canonical SMILES for 1,2-dimethyl-4-propan-2-ylpiperazine;3-ethyl-4-methyl-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;bis((2S,6R)-1,2,6-trimethyl-4-propan-2-ylpiperazine);(2R,6R)-1,2,6-trimethyl-4-propan-2-ylpiperazine is CC(C)N1CCN(C)CC1.CC(C)N1C[C@@H](C)N(C)[C@@H](C)C1.CC(C)N1C[C@@H](C)N(C)[C@@H](C)C1.CC(C)N1C[C@@H](C)N(C)[C@H](C)C1.CC1CN(C(C)C)CCN1C.CCC1CN(C(C)C)CCC1C.
What is the InChIKey of 1,2-dimethyl-4-propan-2-ylpiperazine;3-ethyl-4-methyl-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;bis((2S,6R)-1,2,6-trimethyl-4-propan-2-ylpiperazine);(2R,6R)-1,2,6-trimethyl-4-propan-2-ylpiperazine?
The InChIKey is BRSBGMGIGULXDF-OMJSPEBLSA-N. The full InChI is InChI=1S/C11H23N.3C10H22N2.C9H20N2.C8H18N2/c1-5-11-8-12(9(2)3)7-6-10(11)4;3*1-8(2)12-6-9(3)11(5)10(4)7-12;1-8(2)11-6-5-10(4)9(3)7-11;1-8(2)10-6-4-9(3)5-7-10/h9-11H,5-8H2,1-4H3;3*8-10H,6-7H2,1-5H3;8-9H,5-7H2,1-4H3;8H,4-7H2,1-3H3/t;2*9-,10+;9-,10-;;/m...1../s1.
What are the key properties of 1,2-dimethyl-4-propan-2-ylpiperazine;3-ethyl-4-methyl-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;bis((2S,6R)-1,2,6-trimethyl-4-propan-2-ylpiperazine);(2R,6R)-1,2,6-trimethyl-4-propan-2-ylpiperazine?
1,2-dimethyl-4-propan-2-ylpiperazine;3-ethyl-4-methyl-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;bis((2S,6R)-1,2,6-trimethyl-4-propan-2-ylpiperazine);(2R,6R)-1,2,6-trimethyl-4-propan-2-ylpiperazine has a molecular weight of 978.73 g/mol, XLogP of 8.69, 7 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-4-propan-2-ylpiperazine;3-ethyl-4-methyl-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;bis((2S,6R)-1,2,6-trimethyl-4-propan-2-ylpiperazine);(2R,6R)-1,2,6-trimethyl-4-propan-2-ylpiperazine is sourced from PubChem (CID 157441301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).