1-(2-tert-butyl-3,3-dimethylbutyl)-4-methylpiperazine

C15H32N2 — CID 176871085

IUPAC1-(2-tert-butyl-3,3-dimethylbutyl)-4-methylpiperazine
SMILESCN1CCN(CC(C(C)(C)C)C(C)(C)C)CC1
InChIInChI=1S/C15H32N2/c1-14(2,3)13(15(4,5)6)12-17-10-8-16(7)9-11-17/h13H,8-12H2,1-7H3
InChIKeyBFWKERKKNMEIDI-UHFFFAOYSA-N
MW240.43 g/mol
LogP2.94
Rot. Bonds2

About 1-(2-tert-butyl-3,3-dimethylbutyl)-4-methylpiperazine

1-(2-tert-butyl-3,3-dimethylbutyl)-4-methylpiperazine (PubChem CID 176871085) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is 1-(2-tert-butyl-3,3-dimethylbutyl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(2-tert-butyl-3,3-dimethylbutyl)-4-methylpiperazine
PubChem CID176871085
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC Name1-(2-tert-butyl-3,3-dimethylbutyl)-4-methylpiperazine
SMILESCN1CCN(CC(C(C)(C)C)C(C)(C)C)CC1
InChIInChI=1S/C15H32N2/c1-14(2,3)13(15(4,5)6)12-17-10-8-16(7)9-11-17/h13H,8-12H2,1-7H3
InChIKeyBFWKERKKNMEIDI-UHFFFAOYSA-N
XLogP2.94
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-4-(2-methylpropyl)piperazine
CID 20562082
iron(6+);(2S)-1-[4-methyl-7-[(2S)-2-oxidopropyl]-1,4,7-triazonan-1-yl]propan-2-olate
CID 153461646
1-(2,2-difluoroethyl)-4-methylpiperazine
CID 76646739
3-methyl-1-(4-methylpiperazin-1-yl)butan-2-amine
CID 43199421
1-(2,2-dimethylpropyl)-4-methylpiperazine
CID 12566800
1,1,1-trifluoro-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 2765894
1-methyl-4-[(2S)-2-methylbutyl]piperazine
CID 130224614
1,4,7-trimethyl-10-[2-(4,7,10-trimethyl-1,4,7,10-tetrazacyclododec-1-yl)ethyl]-1,4,7,10-tetrazacyclododecane
CID 21130153
1-methyl-4-[(2S)-2-methylsulfanylpropyl]piperazine
CID 155404296
1-(4-methylpiperazin-1-yl)butane-2-thiol
CID 123178383
1-methyl-4-(2-methylpropyl)-1,4-diazepane
CID 58719890
1-ethyl-4,7-dimethyl-10-(2-methylpropyl)-1,4,7,10-tetrazacyclododecane
CID 118545612

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butyl-3,3-dimethylbutyl)-4-methylpiperazine?
The IUPAC name of 1-(2-tert-butyl-3,3-dimethylbutyl)-4-methylpiperazine (CID 176871085) is 1-(2-tert-butyl-3,3-dimethylbutyl)-4-methylpiperazine.
What is the SMILES notation for 1-(2-tert-butyl-3,3-dimethylbutyl)-4-methylpiperazine?
The canonical SMILES for 1-(2-tert-butyl-3,3-dimethylbutyl)-4-methylpiperazine is CN1CCN(CC(C(C)(C)C)C(C)(C)C)CC1.
What is the InChIKey of 1-(2-tert-butyl-3,3-dimethylbutyl)-4-methylpiperazine?
The InChIKey is BFWKERKKNMEIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-14(2,3)13(15(4,5)6)12-17-10-8-16(7)9-11-17/h13H,8-12H2,1-7H3.
What are the key properties of 1-(2-tert-butyl-3,3-dimethylbutyl)-4-methylpiperazine?
1-(2-tert-butyl-3,3-dimethylbutyl)-4-methylpiperazine has a molecular weight of 240.43 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butyl-3,3-dimethylbutyl)-4-methylpiperazine is sourced from PubChem (CID 176871085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).