(3S)-3-methyl-1-[2-methyl-1-[(2R)-4-propan-2-ylpiperazin-2-yl]propan-2-yl]piperazine

C16H34N4 — CID 130220758

IUPAC(3S)-3-methyl-1-[2-methyl-1-[(2R)-4-propan-2-ylpiperazin-2-yl]propan-2-yl]piperazine
SMILESCC(C)N1CCN[C@H](CC(C)(C)N2CCN[C@@H](C)C2)C1
InChIInChI=1S/C16H34N4/c1-13(2)19-8-6-18-15(12-19)10-16(4,5)20-9-7-17-14(3)11-20/h13-15,17-18H,6-12H2,1-5H3/t14-,15+/m0/s1
InChIKeyLSYMIMSCRKPTMS-LSDHHAIUSA-N
MW282.48 g/mol
LogP1.13
Rot. Bonds4

About (3S)-3-methyl-1-[2-methyl-1-[(2R)-4-propan-2-ylpiperazin-2-yl]propan-2-yl]piperazine

(3S)-3-methyl-1-[2-methyl-1-[(2R)-4-propan-2-ylpiperazin-2-yl]propan-2-yl]piperazine (PubChem CID 130220758) has the molecular formula C16H34N4 and a molecular weight of 282.48 g/mol. Its IUPAC name is (3S)-3-methyl-1-[2-methyl-1-[(2R)-4-propan-2-ylpiperazin-2-yl]propan-2-yl]piperazine.

Molecular Properties

Compound Name(3S)-3-methyl-1-[2-methyl-1-[(2R)-4-propan-2-ylpiperazin-2-yl]propan-2-yl]piperazine
PubChem CID130220758
Molecular FormulaC16H34N4
Molecular Weight282.48 g/mol
Exact Mass282.28
IUPAC Name(3S)-3-methyl-1-[2-methyl-1-[(2R)-4-propan-2-ylpiperazin-2-yl]propan-2-yl]piperazine
SMILESCC(C)N1CCN[C@H](CC(C)(C)N2CCN[C@@H](C)C2)C1
InChIInChI=1S/C16H34N4/c1-13(2)19-8-6-18-15(12-19)10-16(4,5)20-9-7-17-14(3)11-20/h13-15,17-18H,6-12H2,1-5H3/t14-,15+/m0/s1
InChIKeyLSYMIMSCRKPTMS-LSDHHAIUSA-N
XLogP1.13
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.48
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3S)-3-methyl-1-[2-methyl-1-[(2R)-4-propan-2-ylpiperazin-2-yl]propan-2-yl]piperazine 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

1-(3-methylpiperazin-1-yl)ethanamine
CID 115102156
1-(1-cyclopropylethyl)-3-methylpiperazine
CID 64926432
1-(4,4-difluorobutan-2-yl)-3-methylpiperazine
CID 130653889
1,2-dimethyl-4-[2-methyl-1-[(2S)-1-methyl-4-propan-2-ylpiperazin-2-yl]propan-2-yl]piperazine
CID 167093808
3-iodo-1-propan-2-ylpiperazine
CID 140575626
1-(1-ethoxypropan-2-yl)-3-methylpiperazine
CID 64953136
N-tert-butyl-2-[(3S)-3-methylpiperazin-1-yl]propanamide
CID 104976887
2-[(3R)-3-methylpiperazin-1-yl]butanamide
CID 104975725
1-(1-cyclopropylpropyl)-3-methylpiperazine
CID 65417230
2-[(3S)-3-methylpiperazin-1-yl]propanamide
CID 104976739
1-[1-(4-chlorophenyl)ethyl]-3-methylpiperazine
CID 64925953
3-ethyl-1-(2-methylpentan-3-yl)piperazine
CID 64925321

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-1-[2-methyl-1-[(2R)-4-propan-2-ylpiperazin-2-yl]propan-2-yl]piperazine?
The IUPAC name of (3S)-3-methyl-1-[2-methyl-1-[(2R)-4-propan-2-ylpiperazin-2-yl]propan-2-yl]piperazine (CID 130220758) is (3S)-3-methyl-1-[2-methyl-1-[(2R)-4-propan-2-ylpiperazin-2-yl]propan-2-yl]piperazine.
What is the SMILES notation for (3S)-3-methyl-1-[2-methyl-1-[(2R)-4-propan-2-ylpiperazin-2-yl]propan-2-yl]piperazine?
The canonical SMILES for (3S)-3-methyl-1-[2-methyl-1-[(2R)-4-propan-2-ylpiperazin-2-yl]propan-2-yl]piperazine is CC(C)N1CCN[C@H](CC(C)(C)N2CCN[C@@H](C)C2)C1.
What is the InChIKey of (3S)-3-methyl-1-[2-methyl-1-[(2R)-4-propan-2-ylpiperazin-2-yl]propan-2-yl]piperazine?
The InChIKey is LSYMIMSCRKPTMS-LSDHHAIUSA-N. The full InChI is InChI=1S/C16H34N4/c1-13(2)19-8-6-18-15(12-19)10-16(4,5)20-9-7-17-14(3)11-20/h13-15,17-18H,6-12H2,1-5H3/t14-,15+/m0/s1.
What are the key properties of (3S)-3-methyl-1-[2-methyl-1-[(2R)-4-propan-2-ylpiperazin-2-yl]propan-2-yl]piperazine?
(3S)-3-methyl-1-[2-methyl-1-[(2R)-4-propan-2-ylpiperazin-2-yl]propan-2-yl]piperazine has a molecular weight of 282.48 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-1-[2-methyl-1-[(2R)-4-propan-2-ylpiperazin-2-yl]propan-2-yl]piperazine is sourced from PubChem (CID 130220758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).