2-methyl-1-(4-propan-2-yloxybutyl)piperazine

C12H26N2O — CID 106008832

IUPAC2-methyl-1-(4-propan-2-yloxybutyl)piperazine
SMILESCC(C)OCCCCN1CCNCC1C
InChIInChI=1S/C12H26N2O/c1-11(2)15-9-5-4-7-14-8-6-13-10-12(14)3/h11-13H,4-10H2,1-3H3
InChIKeyFPQPPYMVMWYVTD-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.49
Rot. Bonds6

About 2-methyl-1-(4-propan-2-yloxybutyl)piperazine

2-methyl-1-(4-propan-2-yloxybutyl)piperazine (PubChem CID 106008832) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 2-methyl-1-(4-propan-2-yloxybutyl)piperazine.

Molecular Properties

Compound Name2-methyl-1-(4-propan-2-yloxybutyl)piperazine
PubChem CID106008832
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name2-methyl-1-(4-propan-2-yloxybutyl)piperazine
SMILESCC(C)OCCCCN1CCNCC1C
InChIInChI=1S/C12H26N2O/c1-11(2)15-9-5-4-7-14-8-6-13-10-12(14)3/h11-13H,4-10H2,1-3H3
InChIKeyFPQPPYMVMWYVTD-UHFFFAOYSA-N
XLogP1.49
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1-(4-methylpentyl)piperazine
CID 64931123
1-(3-methoxypropyl)-2-methylpiperazine
CID 62674205
1-[3-(2-methoxyethoxy)propyl]-2-methylpiperazine
CID 103410154
(2R)-1-dodecyl-2-methylpiperazine
CID 82761023
7-(2-methylpiperazin-1-yl)heptanenitrile
CID 50999683
(2R)-1-(3-fluoropropyl)-2-methylpiperazine
CID 82761622
2-methyl-5-propan-2-yl-1-(4-propan-2-yloxybutyl)piperazine
CID 106008768
methanol;2-methyl-1-nonylpiperazine
CID 144711987
1-(6-propan-2-yloxyhexyl)piperazine
CID 148670601
8-methyl-9-(4-propan-2-yloxybutyl)-6,9-diazaspiro[4.5]decane
CID 106008757
(2S)-2-methyl-1-(4,4,4-trifluorobutyl)piperazine
CID 82756199
(2R)-1-(2-fluoroethyl)-2-methylpiperazine
CID 82761196

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-propan-2-yloxybutyl)piperazine?
The IUPAC name of 2-methyl-1-(4-propan-2-yloxybutyl)piperazine (CID 106008832) is 2-methyl-1-(4-propan-2-yloxybutyl)piperazine.
What is the SMILES notation for 2-methyl-1-(4-propan-2-yloxybutyl)piperazine?
The canonical SMILES for 2-methyl-1-(4-propan-2-yloxybutyl)piperazine is CC(C)OCCCCN1CCNCC1C.
What is the InChIKey of 2-methyl-1-(4-propan-2-yloxybutyl)piperazine?
The InChIKey is FPQPPYMVMWYVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-11(2)15-9-5-4-7-14-8-6-13-10-12(14)3/h11-13H,4-10H2,1-3H3.
What are the key properties of 2-methyl-1-(4-propan-2-yloxybutyl)piperazine?
2-methyl-1-(4-propan-2-yloxybutyl)piperazine has a molecular weight of 214.35 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-propan-2-yloxybutyl)piperazine is sourced from PubChem (CID 106008832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).