1-[2-(2-butan-2-ylphenoxy)ethyl]piperazine

C16H26N2O — CID 2943811

IUPAC1-[2-(2-butan-2-ylphenoxy)ethyl]piperazine
SMILESCCC(C)c1ccccc1OCCN1CCNCC1
InChIInChI=1S/C16H26N2O/c1-3-14(2)15-6-4-5-7-16(15)19-13-12-18-10-8-17-9-11-18/h4-7,14,17H,3,8-13H2,1-2H3
InChIKeyBVGAGUJNBOHDPM-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.48
Rot. Bonds6

About 1-[2-(2-butan-2-ylphenoxy)ethyl]piperazine

1-[2-(2-butan-2-ylphenoxy)ethyl]piperazine (PubChem CID 2943811) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-[2-(2-butan-2-ylphenoxy)ethyl]piperazine.

Molecular Properties

Compound Name1-[2-(2-butan-2-ylphenoxy)ethyl]piperazine
PubChem CID2943811
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-[2-(2-butan-2-ylphenoxy)ethyl]piperazine
SMILESCCC(C)c1ccccc1OCCN1CCNCC1
InChIInChI=1S/C16H26N2O/c1-3-14(2)15-6-4-5-7-16(15)19-13-12-18-10-8-17-9-11-18/h4-7,14,17H,3,8-13H2,1-2H3
InChIKeyBVGAGUJNBOHDPM-UHFFFAOYSA-N
XLogP2.48
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-propan-2-yloxyphenoxy)ethyl]piperazine
CID 762602
1-[2-(2-butan-2-ylphenoxy)ethyl]-4-methylpiperidine;oxalic acid
CID 2922789
4-[2-[2-(2-butan-2-ylphenoxy)ethoxy]ethyl]morpholine
CID 2923927
1-[2-(2-ethoxyphenoxy)ethyl]-1,4-diazepane;hydrochloride
CID 119906010
1-[4-(2-butan-2-ylphenoxy)butyl]-4-methylpiperidine
CID 2924362
(3R)-1-[2-[2-[(2R)-butan-2-yl]phenoxy]ethyl]-3-methylpiperidine
CID 6544925
1-[2-(2-propan-2-ylphenoxy)ethyl]piperidine
CID 58154732
1-[2-[2-(2-butan-2-ylphenoxy)ethoxy]ethyl]-4-methylpiperidine;oxalic acid
CID 2923591
2-(2-butan-2-ylphenoxy)ethanolate
CID 164822470
1-[2-(2-piperidin-1-ylethoxy)phenyl]propan-1-ol
CID 43503527
4-[(2-butan-2-ylphenoxy)methyl]piperidin-4-ol
CID 81041796
(2S,6S)-4-[3-[2-[(2R)-butan-2-yl]phenoxy]propyl]-2,6-dimethylmorpholine
CID 6359907

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-butan-2-ylphenoxy)ethyl]piperazine?
The IUPAC name of 1-[2-(2-butan-2-ylphenoxy)ethyl]piperazine (CID 2943811) is 1-[2-(2-butan-2-ylphenoxy)ethyl]piperazine.
What is the SMILES notation for 1-[2-(2-butan-2-ylphenoxy)ethyl]piperazine?
The canonical SMILES for 1-[2-(2-butan-2-ylphenoxy)ethyl]piperazine is CCC(C)c1ccccc1OCCN1CCNCC1.
What is the InChIKey of 1-[2-(2-butan-2-ylphenoxy)ethyl]piperazine?
The InChIKey is BVGAGUJNBOHDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-14(2)15-6-4-5-7-16(15)19-13-12-18-10-8-17-9-11-18/h4-7,14,17H,3,8-13H2,1-2H3.
What are the key properties of 1-[2-(2-butan-2-ylphenoxy)ethyl]piperazine?
1-[2-(2-butan-2-ylphenoxy)ethyl]piperazine has a molecular weight of 262.40 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-butan-2-ylphenoxy)ethyl]piperazine is sourced from PubChem (CID 2943811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).