1-(2,2-dimethylpropyl)-4-methylpiperazine;1-(2,2-dimethylpropyl)-4-methylpiperidine

C21H45N3 — CID 157215210

IUPAC1-(2,2-dimethylpropyl)-4-methylpiperazine;1-(2,2-dimethylpropyl)-4-methylpiperidine
SMILESCC1CCN(CC(C)(C)C)CC1.CN1CCN(CC(C)(C)C)CC1
InChIInChI=1S/C11H23N.C10H22N2/c1-10-5-7-12(8-6-10)9-11(2,3)4;1-10(2,3)9-12-7-5-11(4)6-8-12/h10H,5-9H2,1-4H3;5-9H2,1-4H3
InChIKeyASIKBXSEBPWTKJ-UHFFFAOYSA-N
MW339.61 g/mol
LogP4.04
Rot. Bonds2

About 1-(2,2-dimethylpropyl)-4-methylpiperazine;1-(2,2-dimethylpropyl)-4-methylpiperidine

1-(2,2-dimethylpropyl)-4-methylpiperazine;1-(2,2-dimethylpropyl)-4-methylpiperidine (PubChem CID 157215210) has the molecular formula C21H45N3 and a molecular weight of 339.61 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-4-methylpiperazine;1-(2,2-dimethylpropyl)-4-methylpiperidine.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-4-methylpiperazine;1-(2,2-dimethylpropyl)-4-methylpiperidine
PubChem CID157215210
Molecular FormulaC21H45N3
Molecular Weight339.61 g/mol
Exact Mass339.36
IUPAC Name1-(2,2-dimethylpropyl)-4-methylpiperazine;1-(2,2-dimethylpropyl)-4-methylpiperidine
SMILESCC1CCN(CC(C)(C)C)CC1.CN1CCN(CC(C)(C)C)CC1
InChIInChI=1S/C11H23N.C10H22N2/c1-10-5-7-12(8-6-10)9-11(2,3)4;1-10(2,3)9-12-7-5-11(4)6-8-12/h10H,5-9H2,1-4H3;5-9H2,1-4H3
InChIKeyASIKBXSEBPWTKJ-UHFFFAOYSA-N
XLogP4.04
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.61
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2-dimethylpropyl)-4-methylpiperazine
CID 12566800
1-(2,2-dimethylpropyl)-4-methylazepane
CID 142575360
1-(2,2-dimethylpropyl)-4-[1-(2,2-dimethylpropyl)piperidin-4-yl]piperidine
CID 159988708
1-cyclopropyl-4-(2,2-dimethylpropyl)piperazine;1-(2,2-dimethylpropyl)-4-(1-methylpiperidin-4-yl)piperazine
CID 160625863
[2-methyl-1-(4-methylpiperidin-1-yl)propan-2-yl]-λ2-stannane
CID 174710196
1-(2,2-dimethylpropyl)-4-methylpiperazine;4-(2,2-dimethylpropyl)morpholine;methane
CID 162058346
1-(2,2-dimethylpropyl)piperidine-4-thiol
CID 137454957
1-(3-bromo-2,2-dimethylpropyl)-4-methylpiperidine
CID 64999964
1-(2,2-dimethylpropyl)-N-methylpiperidin-4-amine
CID 59679434
1-methyl-4-(2,2,4,4-tetramethylpentyl)piperazine
CID 163906125
ethane;4-methyl-1-(2,2,2-trifluoroethyl)piperidine
CID 142345486
1-(2,2-dimethylpropyl)-N,N-dimethylpyrrolidin-3-amine;(3S)-1-(2,2-dimethylpropyl)-N,N-dimethylpyrrolidin-3-amine;(3R)-1-(2,2-dimethylpropyl)-N,N-dimethylpyrrolidin-3-amine;1-(2,2-dimethylpropyl)-4-methylpiperazine;1-(2,2-dimethylpropyl)piperidine;1-(2,2-dimethylpropyl)-4-propylpiperazine
CID 165017390

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-4-methylpiperazine;1-(2,2-dimethylpropyl)-4-methylpiperidine?
The IUPAC name of 1-(2,2-dimethylpropyl)-4-methylpiperazine;1-(2,2-dimethylpropyl)-4-methylpiperidine (CID 157215210) is 1-(2,2-dimethylpropyl)-4-methylpiperazine;1-(2,2-dimethylpropyl)-4-methylpiperidine.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-4-methylpiperazine;1-(2,2-dimethylpropyl)-4-methylpiperidine?
The canonical SMILES for 1-(2,2-dimethylpropyl)-4-methylpiperazine;1-(2,2-dimethylpropyl)-4-methylpiperidine is CC1CCN(CC(C)(C)C)CC1.CN1CCN(CC(C)(C)C)CC1.
What is the InChIKey of 1-(2,2-dimethylpropyl)-4-methylpiperazine;1-(2,2-dimethylpropyl)-4-methylpiperidine?
The InChIKey is ASIKBXSEBPWTKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N.C10H22N2/c1-10-5-7-12(8-6-10)9-11(2,3)4;1-10(2,3)9-12-7-5-11(4)6-8-12/h10H,5-9H2,1-4H3;5-9H2,1-4H3.
What are the key properties of 1-(2,2-dimethylpropyl)-4-methylpiperazine;1-(2,2-dimethylpropyl)-4-methylpiperidine?
1-(2,2-dimethylpropyl)-4-methylpiperazine;1-(2,2-dimethylpropyl)-4-methylpiperidine has a molecular weight of 339.61 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-4-methylpiperazine;1-(2,2-dimethylpropyl)-4-methylpiperidine is sourced from PubChem (CID 157215210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).