1-methyl-4-[(2S)-2-methyl-1-(2-methylpropyl)piperidin-4-yl]piperazine

C15H31N3 — CID 149237243

IUPAC1-methyl-4-[(2S)-2-methyl-1-(2-methylpropyl)piperidin-4-yl]piperazine
SMILESCC(C)CN1CCC(N2CCN(C)CC2)C[C@@H]1C
InChIInChI=1S/C15H31N3/c1-13(2)12-18-6-5-15(11-14(18)3)17-9-7-16(4)8-10-17/h13-15H,5-12H2,1-4H3/t14-,15?/m0/s1
InChIKeyXLLRSWFXVJVCHW-MLCCFXAWSA-N
MW253.43 g/mol
LogP1.74
Rot. Bonds3

About 1-methyl-4-[(2S)-2-methyl-1-(2-methylpropyl)piperidin-4-yl]piperazine

1-methyl-4-[(2S)-2-methyl-1-(2-methylpropyl)piperidin-4-yl]piperazine (PubChem CID 149237243) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is 1-methyl-4-[(2S)-2-methyl-1-(2-methylpropyl)piperidin-4-yl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[(2S)-2-methyl-1-(2-methylpropyl)piperidin-4-yl]piperazine
PubChem CID149237243
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC Name1-methyl-4-[(2S)-2-methyl-1-(2-methylpropyl)piperidin-4-yl]piperazine
SMILESCC(C)CN1CCC(N2CCN(C)CC2)C[C@@H]1C
InChIInChI=1S/C15H31N3/c1-13(2)12-18-6-5-15(11-14(18)3)17-9-7-16(4)8-10-17/h13-15H,5-12H2,1-4H3/t14-,15?/m0/s1
InChIKeyXLLRSWFXVJVCHW-MLCCFXAWSA-N
XLogP1.74
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2,4-dimethyl-1-(2-methylpropyl)piperazine
CID 171515421
(2S)-4-fluoro-2-methyl-1-(2-methylpropyl)piperidine
CID 171752860
2-methyl-1-(2-methylpropyl)piperidine-4-carboxylic acid
CID 106745002
1-methyl-4-[(1R,3S)-3-methylcyclohexyl]piperazine
CID 7047259
1-tert-butyl-4-[(2S)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]piperazine
CID 134413729
ethane;1-methyl-4-(1-methylpiperidin-4-yl)piperazine
CID 144911273
3-methyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]butan-1-one;oxalic acid
CID 2912644
2-[(3R)-3-methyl-4-(2-methylpropyl)piperazin-1-yl]ethanol
CID 166175492
(1S,5R)-2-(2-methylpropyl)-2-azabicyclo[3.1.0]hexane
CID 167420955
1-(2,4-dimethylpiperidin-1-yl)propan-2-amine
CID 62331948
1-(2-methylpropyl)-4-[1-(2-methylpropyl)pyrrolidin-3-yl]piperazine
CID 155459870
(2R)-1-(2,4-dimethylpiperidin-1-yl)propan-2-ol
CID 103935109

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(2S)-2-methyl-1-(2-methylpropyl)piperidin-4-yl]piperazine?
The IUPAC name of 1-methyl-4-[(2S)-2-methyl-1-(2-methylpropyl)piperidin-4-yl]piperazine (CID 149237243) is 1-methyl-4-[(2S)-2-methyl-1-(2-methylpropyl)piperidin-4-yl]piperazine.
What is the SMILES notation for 1-methyl-4-[(2S)-2-methyl-1-(2-methylpropyl)piperidin-4-yl]piperazine?
The canonical SMILES for 1-methyl-4-[(2S)-2-methyl-1-(2-methylpropyl)piperidin-4-yl]piperazine is CC(C)CN1CCC(N2CCN(C)CC2)C[C@@H]1C.
What is the InChIKey of 1-methyl-4-[(2S)-2-methyl-1-(2-methylpropyl)piperidin-4-yl]piperazine?
The InChIKey is XLLRSWFXVJVCHW-MLCCFXAWSA-N. The full InChI is InChI=1S/C15H31N3/c1-13(2)12-18-6-5-15(11-14(18)3)17-9-7-16(4)8-10-17/h13-15H,5-12H2,1-4H3/t14-,15?/m0/s1.
What are the key properties of 1-methyl-4-[(2S)-2-methyl-1-(2-methylpropyl)piperidin-4-yl]piperazine?
1-methyl-4-[(2S)-2-methyl-1-(2-methylpropyl)piperidin-4-yl]piperazine has a molecular weight of 253.43 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(2S)-2-methyl-1-(2-methylpropyl)piperidin-4-yl]piperazine is sourced from PubChem (CID 149237243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).