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

C56H124N12 — CID 158704033

IUPAC(2R)-1,2-dimethyl-4-propan-2-ylpiperazine;(2S)-1,2-dimethyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;(2S,6R)-1,2,6-trimethyl-4-propan-2-ylpiperazine;(2S,6S)-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)N1CCN(C)[C@@H](C)C1.CC(C)N1CCN(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.CC(C)N1C[C@H](C)N(C)[C@@H](C)C1
InChIInChI=1S/3C10H22N2.2C9H20N2.C8H18N2/c3*1-8(2)12-6-9(3)11(5)10(4)7-12;2*1-8(2)11-6-5-10(4)9(3)7-11;1-8(2)10-6-4-9(3)5-7-10/h3*8-10H,6-7H2,1-5H3;2*8-9H,5-7H2,1-4H3;8H,4-7H2,1-3H3/t9-,10+;2*9-,10-;2*9-;/m.1010./s1
InChIKeyIHWWFUGPGJGIOQ-VZIBTATKSA-N
MW965.69 g/mol
LogP6.96
Rot. Bonds6

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

(2R)-1,2-dimethyl-4-propan-2-ylpiperazine;(2S)-1,2-dimethyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;(2S,6R)-1,2,6-trimethyl-4-propan-2-ylpiperazine;(2S,6S)-1,2,6-trimethyl-4-propan-2-ylpiperazine;(2R,6R)-1,2,6-trimethyl-4-propan-2-ylpiperazine (PubChem CID 158704033) has the molecular formula C56H124N12 and a molecular weight of 965.69 g/mol. Its IUPAC name is (2R)-1,2-dimethyl-4-propan-2-ylpiperazine;(2S)-1,2-dimethyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;(2S,6R)-1,2,6-trimethyl-4-propan-2-ylpiperazine;(2S,6S)-1,2,6-trimethyl-4-propan-2-ylpiperazine;(2R,6R)-1,2,6-trimethyl-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name(2R)-1,2-dimethyl-4-propan-2-ylpiperazine;(2S)-1,2-dimethyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;(2S,6R)-1,2,6-trimethyl-4-propan-2-ylpiperazine;(2S,6S)-1,2,6-trimethyl-4-propan-2-ylpiperazine;(2R,6R)-1,2,6-trimethyl-4-propan-2-ylpiperazine
PubChem CID158704033
Molecular FormulaC56H124N12
Molecular Weight965.69 g/mol
Exact Mass965.01
IUPAC Name(2R)-1,2-dimethyl-4-propan-2-ylpiperazine;(2S)-1,2-dimethyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;(2S,6R)-1,2,6-trimethyl-4-propan-2-ylpiperazine;(2S,6S)-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)N1CCN(C)[C@@H](C)C1.CC(C)N1CCN(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.CC(C)N1C[C@H](C)N(C)[C@@H](C)C1
InChIInChI=1S/3C10H22N2.2C9H20N2.C8H18N2/c3*1-8(2)12-6-9(3)11(5)10(4)7-12;2*1-8(2)11-6-5-10(4)9(3)7-11;1-8(2)10-6-4-9(3)5-7-10/h3*8-10H,6-7H2,1-5H3;2*8-9H,5-7H2,1-4H3;8H,4-7H2,1-3H3/t9-,10+;2*9-,10-;2*9-;/m.1010./s1
InChIKeyIHWWFUGPGJGIOQ-VZIBTATKSA-N
XLogP6.96
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms68
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500965.69
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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1-methyl-4-propan-2-ylpiperazine
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CID 176748171
1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpyrrolidine
CID 170616803
1,4-dimethylpiperazine;(2S)-1,2,4-trimethylpiperazine
CID 145359851
2-(3,4-dimethylpiperazin-1-yl)propanoic acid
CID 63609228
1,4-dimethylpiperazine;1,2,4,6-tetramethylpiperazine
CID 145359849
formaldehyde;1-methyl-4-propan-2-ylpiperazine
CID 157498732
ethane;(2S)-1,2,4-trimethylpiperazine
CID 90960926
1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazepane
CID 170616932
1,2-dimethyl-4-[2-methyl-1-[(2S)-1-methyl-4-propan-2-ylpiperazin-2-yl]propan-2-yl]piperazine
CID 167093808
2,6-dimethyl-1-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine
CID 170616894

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;1-methyl-4-propan-2-ylpiperazine;(2S,6R)-1,2,6-trimethyl-4-propan-2-ylpiperazine;(2S,6S)-1,2,6-trimethyl-4-propan-2-ylpiperazine;(2R,6R)-1,2,6-trimethyl-4-propan-2-ylpiperazine?
The IUPAC name of (2R)-1,2-dimethyl-4-propan-2-ylpiperazine;(2S)-1,2-dimethyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;(2S,6R)-1,2,6-trimethyl-4-propan-2-ylpiperazine;(2S,6S)-1,2,6-trimethyl-4-propan-2-ylpiperazine;(2R,6R)-1,2,6-trimethyl-4-propan-2-ylpiperazine (CID 158704033) is (2R)-1,2-dimethyl-4-propan-2-ylpiperazine;(2S)-1,2-dimethyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;(2S,6R)-1,2,6-trimethyl-4-propan-2-ylpiperazine;(2S,6S)-1,2,6-trimethyl-4-propan-2-ylpiperazine;(2R,6R)-1,2,6-trimethyl-4-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;1-methyl-4-propan-2-ylpiperazine;(2S,6R)-1,2,6-trimethyl-4-propan-2-ylpiperazine;(2S,6S)-1,2,6-trimethyl-4-propan-2-ylpiperazine;(2R,6R)-1,2,6-trimethyl-4-propan-2-ylpiperazine?
The canonical SMILES for (2R)-1,2-dimethyl-4-propan-2-ylpiperazine;(2S)-1,2-dimethyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;(2S,6R)-1,2,6-trimethyl-4-propan-2-ylpiperazine;(2S,6S)-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)N1CCN(C)[C@@H](C)C1.CC(C)N1CCN(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.CC(C)N1C[C@H](C)N(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;1-methyl-4-propan-2-ylpiperazine;(2S,6R)-1,2,6-trimethyl-4-propan-2-ylpiperazine;(2S,6S)-1,2,6-trimethyl-4-propan-2-ylpiperazine;(2R,6R)-1,2,6-trimethyl-4-propan-2-ylpiperazine?
The InChIKey is IHWWFUGPGJGIOQ-VZIBTATKSA-N. The full InChI is InChI=1S/3C10H22N2.2C9H20N2.C8H18N2/c3*1-8(2)12-6-9(3)11(5)10(4)7-12;2*1-8(2)11-6-5-10(4)9(3)7-11;1-8(2)10-6-4-9(3)5-7-10/h3*8-10H,6-7H2,1-5H3;2*8-9H,5-7H2,1-4H3;8H,4-7H2,1-3H3/t9-,10+;2*9-,10-;2*9-;/m.1010./s1.
What are the key properties of (2R)-1,2-dimethyl-4-propan-2-ylpiperazine;(2S)-1,2-dimethyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;(2S,6R)-1,2,6-trimethyl-4-propan-2-ylpiperazine;(2S,6S)-1,2,6-trimethyl-4-propan-2-ylpiperazine;(2R,6R)-1,2,6-trimethyl-4-propan-2-ylpiperazine?
(2R)-1,2-dimethyl-4-propan-2-ylpiperazine;(2S)-1,2-dimethyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;(2S,6R)-1,2,6-trimethyl-4-propan-2-ylpiperazine;(2S,6S)-1,2,6-trimethyl-4-propan-2-ylpiperazine;(2R,6R)-1,2,6-trimethyl-4-propan-2-ylpiperazine has a molecular weight of 965.69 g/mol, XLogP of 6.96, 6 rotatable bonds, 0 hydrogen bond donors, and 12 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;1-methyl-4-propan-2-ylpiperazine;(2S,6R)-1,2,6-trimethyl-4-propan-2-ylpiperazine;(2S,6S)-1,2,6-trimethyl-4-propan-2-ylpiperazine;(2R,6R)-1,2,6-trimethyl-4-propan-2-ylpiperazine is sourced from PubChem (CID 158704033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).