(2R)-1,2-dimethyl-4-propan-2-ylpiperazine;(2S)-1,2-dimethyl-4-propan-2-ylpiperazine;(2S)-2,4-dimethyl-1-propan-2-ylpiperazine;(2R)-2,4-dimethyl-1-propan-2-ylpiperazine

C36H80N8 — CID 157179110

IUPAC(2R)-1,2-dimethyl-4-propan-2-ylpiperazine;(2S)-1,2-dimethyl-4-propan-2-ylpiperazine;(2S)-2,4-dimethyl-1-propan-2-ylpiperazine;(2R)-2,4-dimethyl-1-propan-2-ylpiperazine
SMILESCC(C)N1CCN(C)C[C@@H]1C.CC(C)N1CCN(C)C[C@H]1C.CC(C)N1CCN(C)[C@@H](C)C1.CC(C)N1CCN(C)[C@H](C)C1
InChIInChI=1S/4C9H20N2/c2*1-8(2)11-6-5-10(4)9(3)7-11;2*1-8(2)11-6-5-10(4)7-9(11)3/h4*8-9H,5-7H2,1-4H3/t4*9-/m1010/s1
InChIKeyAOJBROQUBBLULG-ABUKECDOSA-N
MW625.09 g/mol
LogP4.12
Rot. Bonds4

About (2R)-1,2-dimethyl-4-propan-2-ylpiperazine;(2S)-1,2-dimethyl-4-propan-2-ylpiperazine;(2S)-2,4-dimethyl-1-propan-2-ylpiperazine;(2R)-2,4-dimethyl-1-propan-2-ylpiperazine

(2R)-1,2-dimethyl-4-propan-2-ylpiperazine;(2S)-1,2-dimethyl-4-propan-2-ylpiperazine;(2S)-2,4-dimethyl-1-propan-2-ylpiperazine;(2R)-2,4-dimethyl-1-propan-2-ylpiperazine (PubChem CID 157179110) has the molecular formula C36H80N8 and a molecular weight of 625.09 g/mol. Its IUPAC name is (2R)-1,2-dimethyl-4-propan-2-ylpiperazine;(2S)-1,2-dimethyl-4-propan-2-ylpiperazine;(2S)-2,4-dimethyl-1-propan-2-ylpiperazine;(2R)-2,4-dimethyl-1-propan-2-ylpiperazine.

Molecular Properties

Compound Name(2R)-1,2-dimethyl-4-propan-2-ylpiperazine;(2S)-1,2-dimethyl-4-propan-2-ylpiperazine;(2S)-2,4-dimethyl-1-propan-2-ylpiperazine;(2R)-2,4-dimethyl-1-propan-2-ylpiperazine
PubChem CID157179110
Molecular FormulaC36H80N8
Molecular Weight625.09 g/mol
Exact Mass624.65
IUPAC Name(2R)-1,2-dimethyl-4-propan-2-ylpiperazine;(2S)-1,2-dimethyl-4-propan-2-ylpiperazine;(2S)-2,4-dimethyl-1-propan-2-ylpiperazine;(2R)-2,4-dimethyl-1-propan-2-ylpiperazine
SMILESCC(C)N1CCN(C)C[C@@H]1C.CC(C)N1CCN(C)C[C@H]1C.CC(C)N1CCN(C)[C@@H](C)C1.CC(C)N1CCN(C)[C@H](C)C1
InChIInChI=1S/4C9H20N2/c2*1-8(2)11-6-5-10(4)9(3)7-11;2*1-8(2)11-6-5-10(4)7-9(11)3/h4*8-9H,5-7H2,1-4H3/t4*9-/m1010/s1
InChIKeyAOJBROQUBBLULG-ABUKECDOSA-N
XLogP4.12
TPSA25.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500625.09
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (2R)-1,2-dimethyl-4-propan-2-ylpiperazine;(2S)-1,2-dimethyl-4-propan-2-ylpiperazine;(2S)-2,4-dimethyl-1-propan-2-ylpiperazine;(2R)-2,4-dimethyl-1-propan-2-ylpiperazine with MolForge

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Related Compounds

1,6,9,14,17,22,25,30-Octazapentacyclo[28.2.2.26,9.214,17.222,25]tetraconta-3,11,19,27-tetrayne
CID 10506740
1-Methyl-4-[3-(4-propan-2-yl-1,4-diazoniabicyclo[2.2.2]octan-1-yl)propyl]-1,4-diazoniabicyclo[2.2.2]octane
CID 21364636
1-Methyl-4-[4-(4-propan-2-yl-1,4-diazoniabicyclo[2.2.2]octan-1-yl)butyl]-1,4-diazoniabicyclo[2.2.2]octane
CID 21364637
1-[3-(4-Aza-1-azoniabicyclo[2.2.2]octan-1-yl)propyl]-4-propan-2-yl-1,4-diazoniabicyclo[2.2.2]octane
CID 21364709
1-(2-Piperazin-1-ylethyl)piperazine;1-(1-piperazin-1-ylpropan-2-yl)piperazine
CID 67764532
1,4,8,11-Tetrakis(2-piperidin-1-ylethyl)-1,4,8,11-tetrazacyclotetradecane
CID 69751149
1-[4-(2,5-Dimethyl-4-aza-1-azoniabicyclo[2.2.2]octan-1-yl)butyl]-2,5-dimethyl-4-aza-1-azoniabicyclo[2.2.2]octane
CID 70258816
(2S)-1-methyl-2-[2-[1-methyl-4-[(2S,3R)-3-(4-methylpiperazin-1-yl)butan-2-yl]piperazin-2-yl]ethyl]-6-[[(2R)-1-methyl-4-propan-2-ylpiperazin-2-yl]methyl]-4-propan-2-ylpiperazine
CID 138578614
1-Methyl-4-(2-piperidin-1-ylethyl)piperazine;1-methyl-4-piperidin-1-ylpiperidine
CID 142839720
ethane;(2S,6S)-1,2,4,6-tetramethylpiperazine;bis((2S,6R)-1,2,4,6-tetramethylpiperazine)
CID 145360216
Ethane;bis(1-ethyl-4-[3-(4-methylpiperazin-1-yl)propyl]piperazine)
CID 156885688
1-Ethyl-4-aza-1-azoniabicyclo[2.2.2]octane;1-ethyl-1,4-dimethylpiperazin-1-ium
CID 157050631

Frequently Asked Questions

What is the IUPAC name of (2R)-1,2-dimethyl-4-propan-2-ylpiperazine;(2S)-1,2-dimethyl-4-propan-2-ylpiperazine;(2S)-2,4-dimethyl-1-propan-2-ylpiperazine;(2R)-2,4-dimethyl-1-propan-2-ylpiperazine?
The IUPAC name of (2R)-1,2-dimethyl-4-propan-2-ylpiperazine;(2S)-1,2-dimethyl-4-propan-2-ylpiperazine;(2S)-2,4-dimethyl-1-propan-2-ylpiperazine;(2R)-2,4-dimethyl-1-propan-2-ylpiperazine (CID 157179110) is (2R)-1,2-dimethyl-4-propan-2-ylpiperazine;(2S)-1,2-dimethyl-4-propan-2-ylpiperazine;(2S)-2,4-dimethyl-1-propan-2-ylpiperazine;(2R)-2,4-dimethyl-1-propan-2-ylpiperazine.
What is the SMILES notation for (2R)-1,2-dimethyl-4-propan-2-ylpiperazine;(2S)-1,2-dimethyl-4-propan-2-ylpiperazine;(2S)-2,4-dimethyl-1-propan-2-ylpiperazine;(2R)-2,4-dimethyl-1-propan-2-ylpiperazine?
The canonical SMILES for (2R)-1,2-dimethyl-4-propan-2-ylpiperazine;(2S)-1,2-dimethyl-4-propan-2-ylpiperazine;(2S)-2,4-dimethyl-1-propan-2-ylpiperazine;(2R)-2,4-dimethyl-1-propan-2-ylpiperazine is CC(C)N1CCN(C)C[C@@H]1C.CC(C)N1CCN(C)C[C@H]1C.CC(C)N1CCN(C)[C@@H](C)C1.CC(C)N1CCN(C)[C@H](C)C1.
What is the InChIKey of (2R)-1,2-dimethyl-4-propan-2-ylpiperazine;(2S)-1,2-dimethyl-4-propan-2-ylpiperazine;(2S)-2,4-dimethyl-1-propan-2-ylpiperazine;(2R)-2,4-dimethyl-1-propan-2-ylpiperazine?
The InChIKey is AOJBROQUBBLULG-ABUKECDOSA-N. The full InChI is InChI=1S/4C9H20N2/c2*1-8(2)11-6-5-10(4)9(3)7-11;2*1-8(2)11-6-5-10(4)7-9(11)3/h4*8-9H,5-7H2,1-4H3/t4*9-/m1010/s1.
What are the key properties of (2R)-1,2-dimethyl-4-propan-2-ylpiperazine;(2S)-1,2-dimethyl-4-propan-2-ylpiperazine;(2S)-2,4-dimethyl-1-propan-2-ylpiperazine;(2R)-2,4-dimethyl-1-propan-2-ylpiperazine?
(2R)-1,2-dimethyl-4-propan-2-ylpiperazine;(2S)-1,2-dimethyl-4-propan-2-ylpiperazine;(2S)-2,4-dimethyl-1-propan-2-ylpiperazine;(2R)-2,4-dimethyl-1-propan-2-ylpiperazine has a molecular weight of 625.09 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1,2-dimethyl-4-propan-2-ylpiperazine;(2S)-1,2-dimethyl-4-propan-2-ylpiperazine;(2S)-2,4-dimethyl-1-propan-2-ylpiperazine;(2R)-2,4-dimethyl-1-propan-2-ylpiperazine is sourced from PubChem (CID 157179110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).