1-methyl-4-[2-(3-propan-2-ylphenoxy)ethyl]piperazine

C16H26N2O — CID 59135331

IUPAC1-methyl-4-[2-(3-propan-2-ylphenoxy)ethyl]piperazine
SMILESCC(C)c1cccc(OCCN2CCN(C)CC2)c1
InChIInChI=1S/C16H26N2O/c1-14(2)15-5-4-6-16(13-15)19-12-11-18-9-7-17(3)8-10-18/h4-6,13-14H,7-12H2,1-3H3
InChIKeyLUACXDLIRHADCF-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.44
Rot. Bonds5

About 1-methyl-4-[2-(3-propan-2-ylphenoxy)ethyl]piperazine

1-methyl-4-[2-(3-propan-2-ylphenoxy)ethyl]piperazine (PubChem CID 59135331) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-methyl-4-[2-(3-propan-2-ylphenoxy)ethyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[2-(3-propan-2-ylphenoxy)ethyl]piperazine
PubChem CID59135331
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-methyl-4-[2-(3-propan-2-ylphenoxy)ethyl]piperazine
SMILESCC(C)c1cccc(OCCN2CCN(C)CC2)c1
InChIInChI=1S/C16H26N2O/c1-14(2)15-5-4-6-16(13-15)19-12-11-18-9-7-17(3)8-10-18/h4-6,13-14H,7-12H2,1-3H3
InChIKeyLUACXDLIRHADCF-UHFFFAOYSA-N
XLogP2.44
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-propan-2-ylphenoxy)ethyl]pyrrolidine
CID 869541
N-ethyl-1-[3-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethanamine
CID 82888041
1-(oxetan-3-yl)-4-[2-(3-propan-2-ylphenoxy)ethyl]piperazine
CID 176757504
4-[3-(3-propan-2-ylphenoxy)propyl]morpholine
CID 42562888
(1R)-1-[3-(2-pyrrolidin-1-ylethoxy)phenyl]ethanol
CID 78934419
1-propan-2-yl-3-[3-(3-propan-2-ylphenoxy)propoxy]benzene
CID 2426201
N-methyl-1-[3-(2-pyrrolidin-1-ylethoxy)phenyl]ethanamine
CID 60883623
1-[3-(2-morpholin-4-ylethoxy)phenyl]ethanol
CID 43504270
2-(3-propan-2-ylphenoxy)ethanethiol
CID 21131503
1-methyl-4-[2-(3-nitrophenoxy)ethyl]piperazine;hydrochloride
CID 2993253
1-[2-[3,5-di(propan-2-yl)phenoxy]ethyl]piperidine
CID 90706793
ethane;N-methyl-N-(2-morpholin-4-ylethyl)-3-propan-2-ylaniline;4-[2-(3-propan-2-ylphenoxy)ethyl]morpholine;1-[2-(3-propan-2-ylphenoxy)ethyl]piperidine
CID 167535418

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-(3-propan-2-ylphenoxy)ethyl]piperazine?
The IUPAC name of 1-methyl-4-[2-(3-propan-2-ylphenoxy)ethyl]piperazine (CID 59135331) is 1-methyl-4-[2-(3-propan-2-ylphenoxy)ethyl]piperazine.
What is the SMILES notation for 1-methyl-4-[2-(3-propan-2-ylphenoxy)ethyl]piperazine?
The canonical SMILES for 1-methyl-4-[2-(3-propan-2-ylphenoxy)ethyl]piperazine is CC(C)c1cccc(OCCN2CCN(C)CC2)c1.
What is the InChIKey of 1-methyl-4-[2-(3-propan-2-ylphenoxy)ethyl]piperazine?
The InChIKey is LUACXDLIRHADCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-14(2)15-5-4-6-16(13-15)19-12-11-18-9-7-17(3)8-10-18/h4-6,13-14H,7-12H2,1-3H3.
What are the key properties of 1-methyl-4-[2-(3-propan-2-ylphenoxy)ethyl]piperazine?
1-methyl-4-[2-(3-propan-2-ylphenoxy)ethyl]piperazine has a molecular weight of 262.40 g/mol, XLogP of 2.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-(3-propan-2-ylphenoxy)ethyl]piperazine is sourced from PubChem (CID 59135331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).