(2S)-1,2-dimethyl-4-propan-2-ylpiperazine;2,2,4-trimethyl-1-propan-2-ylpiperazine;1,3,3-trimethyl-4-propan-2-ylpiperazin-2-one;1,5,5-trimethyl-4-propan-2-ylpiperazin-2-one

C39H82N8O2 — CID 158906653

IUPAC(2S)-1,2-dimethyl-4-propan-2-ylpiperazine;2,2,4-trimethyl-1-propan-2-ylpiperazine;1,3,3-trimethyl-4-propan-2-ylpiperazin-2-one;1,5,5-trimethyl-4-propan-2-ylpiperazin-2-one
SMILESCC(C)N1CC(=O)N(C)CC1(C)C.CC(C)N1CCN(C)C(=O)C1(C)C.CC(C)N1CCN(C)CC1(C)C.CC(C)N1CCN(C)[C@@H](C)C1
InChIInChI=1S/2C10H20N2O.C10H22N2.C9H20N2/c1-8(2)12-6-9(13)11(5)7-10(12,3)4;1-8(2)12-7-6-11(5)9(13)10(12,3)4;1-9(2)12-7-6-11(5)8-10(12,3)4;1-8(2)11-6-5-10(4)9(3)7-11/h2*8H,6-7H2,1-5H3;9H,6-8H2,1-5H3;8-9H,5-7H2,1-4H3/t;;;9-/m...0/s1
InChIKeyJGCZUASMNKAGRM-RWYKCJGHSA-N
MW695.14 g/mol
LogP4.35
Rot. Bonds4

About (2S)-1,2-dimethyl-4-propan-2-ylpiperazine;2,2,4-trimethyl-1-propan-2-ylpiperazine;1,3,3-trimethyl-4-propan-2-ylpiperazin-2-one;1,5,5-trimethyl-4-propan-2-ylpiperazin-2-one

(2S)-1,2-dimethyl-4-propan-2-ylpiperazine;2,2,4-trimethyl-1-propan-2-ylpiperazine;1,3,3-trimethyl-4-propan-2-ylpiperazin-2-one;1,5,5-trimethyl-4-propan-2-ylpiperazin-2-one (PubChem CID 158906653) has the molecular formula C39H82N8O2 and a molecular weight of 695.14 g/mol. Its IUPAC name is (2S)-1,2-dimethyl-4-propan-2-ylpiperazine;2,2,4-trimethyl-1-propan-2-ylpiperazine;1,3,3-trimethyl-4-propan-2-ylpiperazin-2-one;1,5,5-trimethyl-4-propan-2-ylpiperazin-2-one.

Molecular Properties

Compound Name(2S)-1,2-dimethyl-4-propan-2-ylpiperazine;2,2,4-trimethyl-1-propan-2-ylpiperazine;1,3,3-trimethyl-4-propan-2-ylpiperazin-2-one;1,5,5-trimethyl-4-propan-2-ylpiperazin-2-one
PubChem CID158906653
Molecular FormulaC39H82N8O2
Molecular Weight695.14 g/mol
Exact Mass694.66
IUPAC Name(2S)-1,2-dimethyl-4-propan-2-ylpiperazine;2,2,4-trimethyl-1-propan-2-ylpiperazine;1,3,3-trimethyl-4-propan-2-ylpiperazin-2-one;1,5,5-trimethyl-4-propan-2-ylpiperazin-2-one
SMILESCC(C)N1CC(=O)N(C)CC1(C)C.CC(C)N1CCN(C)C(=O)C1(C)C.CC(C)N1CCN(C)CC1(C)C.CC(C)N1CCN(C)[C@@H](C)C1
InChIInChI=1S/2C10H20N2O.C10H22N2.C9H20N2/c1-8(2)12-6-9(13)11(5)7-10(12,3)4;1-8(2)12-7-6-11(5)9(13)10(12,3)4;1-9(2)12-7-6-11(5)8-10(12,3)4;1-8(2)11-6-5-10(4)9(3)7-11/h2*8H,6-7H2,1-5H3;9H,6-8H2,1-5H3;8-9H,5-7H2,1-4H3/t;;;9-/m...0/s1
InChIKeyJGCZUASMNKAGRM-RWYKCJGHSA-N
XLogP4.35
TPSA60.06 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500695.14
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (2S)-1,2-dimethyl-4-propan-2-ylpiperazine;2,2,4-trimethyl-1-propan-2-ylpiperazine;1,3,3-trimethyl-4-propan-2-ylpiperazin-2-one;1,5,5-trimethyl-4-propan-2-ylpiperazin-2-one with MolForge

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Launch Full Analysis

Related Compounds

1-[2-[[3,5-Bis[butan-2-yl-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]amino]-1,3,5-triazinan-1-yl]-butan-2-ylamino]ethyl]-3,3,5,5-tetramethylpiperazin-2-one
CID 17780410
1-[4-[3-[Methyl-[2-[methyl-[3-[4-[3-(4-methylpiperazin-1-yl)propanoyl]piperazin-1-yl]-3-oxopropyl]amino]ethyl]amino]propanoyl]piperazin-1-yl]-3-(4-methylpiperazin-1-yl)propan-1-one
CID 22086286
3,3,5,5-Tetramethyl-1-propan-2-ylpiperazin-2-one;3,3,5,5-tetramethyl-1-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]piperazin-2-one
CID 70018577
3,4,5,5-Tetramethyl-1-[2-(3,4,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]piperazin-2-one
CID 70528149
3,3,4,6-Tetramethyl-1-[2-(3,3,4,6-tetramethyl-2-oxopiperazin-1-yl)ethyl]piperazin-2-one
CID 139767711
1-Ethyl-2,4-dimethylpiperazine;4-ethyl-1,2-dimethylpiperazine;1-ethyl-4-methylpiperazine;1-ethyl-4-methylpiperazine-2,3-dione;1-ethyl-4-methylpiperazine-2,6-dione;1-ethyl-4-methylpiperazin-2-one;4-ethyl-1-methylpiperazin-2-one;1-ethyl-2,3,4-trimethylpiperazine;1-ethyl-2,4,6-trimethylpiperazine;4-ethyl-1,2,6-trimethylpiperazine
CID 157371970
4-Tert-butyl-1-(1-tert-butylpiperidin-4-yl)piperazin-2-one
CID 157437984
Bis(1-tert-butyl-4-methylpiperazine);4-tert-butyl-1-methylpiperazin-2-one;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;ethane;methane
CID 157499259
1,3,3-Trimethyl-4-propan-2-ylpiperazin-2-one;1,5,5-trimethyl-4-propan-2-ylpiperazin-2-one
CID 157777989
(2S)-1,2-dimethyl-4-propan-2-ylpiperazine;methane;2,2,4-trimethyl-1-propan-2-ylpiperazine;1,3,3-trimethyl-4-propan-2-ylpiperazin-2-one;1,5,5-trimethyl-4-propan-2-ylpiperazin-2-one
CID 157835393
(2S)-1,2-dimethyl-4-propan-2-ylpiperazine;3,3-dimethyl-1-propan-2-ylpiperidine;methane;2,2,4-trimethyl-1-propan-2-ylpiperazine;1,3,3-trimethyl-4-propan-2-ylpiperazin-2-one;1,5,5-trimethyl-4-propan-2-ylpiperazin-2-one
CID 158075959
Methane;3,3,4,5,5-pentamethyl-1-[2-[6-[2-(3,3,4,5,5-pentamethyl-2-oxopiperazin-1-yl)ethylamino]hexylamino]ethyl]piperazin-2-one;3,3,5,5-tetramethyl-1-[2-[6-[1-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propan-2-ylamino]hexylamino]propyl]piperazin-2-one
CID 158412801

Frequently Asked Questions

What is the IUPAC name of (2S)-1,2-dimethyl-4-propan-2-ylpiperazine;2,2,4-trimethyl-1-propan-2-ylpiperazine;1,3,3-trimethyl-4-propan-2-ylpiperazin-2-one;1,5,5-trimethyl-4-propan-2-ylpiperazin-2-one?
The IUPAC name of (2S)-1,2-dimethyl-4-propan-2-ylpiperazine;2,2,4-trimethyl-1-propan-2-ylpiperazine;1,3,3-trimethyl-4-propan-2-ylpiperazin-2-one;1,5,5-trimethyl-4-propan-2-ylpiperazin-2-one (CID 158906653) is (2S)-1,2-dimethyl-4-propan-2-ylpiperazine;2,2,4-trimethyl-1-propan-2-ylpiperazine;1,3,3-trimethyl-4-propan-2-ylpiperazin-2-one;1,5,5-trimethyl-4-propan-2-ylpiperazin-2-one.
What is the SMILES notation for (2S)-1,2-dimethyl-4-propan-2-ylpiperazine;2,2,4-trimethyl-1-propan-2-ylpiperazine;1,3,3-trimethyl-4-propan-2-ylpiperazin-2-one;1,5,5-trimethyl-4-propan-2-ylpiperazin-2-one?
The canonical SMILES for (2S)-1,2-dimethyl-4-propan-2-ylpiperazine;2,2,4-trimethyl-1-propan-2-ylpiperazine;1,3,3-trimethyl-4-propan-2-ylpiperazin-2-one;1,5,5-trimethyl-4-propan-2-ylpiperazin-2-one is CC(C)N1CC(=O)N(C)CC1(C)C.CC(C)N1CCN(C)C(=O)C1(C)C.CC(C)N1CCN(C)CC1(C)C.CC(C)N1CCN(C)[C@@H](C)C1.
What is the InChIKey of (2S)-1,2-dimethyl-4-propan-2-ylpiperazine;2,2,4-trimethyl-1-propan-2-ylpiperazine;1,3,3-trimethyl-4-propan-2-ylpiperazin-2-one;1,5,5-trimethyl-4-propan-2-ylpiperazin-2-one?
The InChIKey is JGCZUASMNKAGRM-RWYKCJGHSA-N. The full InChI is InChI=1S/2C10H20N2O.C10H22N2.C9H20N2/c1-8(2)12-6-9(13)11(5)7-10(12,3)4;1-8(2)12-7-6-11(5)9(13)10(12,3)4;1-9(2)12-7-6-11(5)8-10(12,3)4;1-8(2)11-6-5-10(4)9(3)7-11/h2*8H,6-7H2,1-5H3;9H,6-8H2,1-5H3;8-9H,5-7H2,1-4H3/t;;;9-/m...0/s1.
What are the key properties of (2S)-1,2-dimethyl-4-propan-2-ylpiperazine;2,2,4-trimethyl-1-propan-2-ylpiperazine;1,3,3-trimethyl-4-propan-2-ylpiperazin-2-one;1,5,5-trimethyl-4-propan-2-ylpiperazin-2-one?
(2S)-1,2-dimethyl-4-propan-2-ylpiperazine;2,2,4-trimethyl-1-propan-2-ylpiperazine;1,3,3-trimethyl-4-propan-2-ylpiperazin-2-one;1,5,5-trimethyl-4-propan-2-ylpiperazin-2-one has a molecular weight of 695.14 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,2-dimethyl-4-propan-2-ylpiperazine;2,2,4-trimethyl-1-propan-2-ylpiperazine;1,3,3-trimethyl-4-propan-2-ylpiperazin-2-one;1,5,5-trimethyl-4-propan-2-ylpiperazin-2-one is sourced from PubChem (CID 158906653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).