1-[2-(4-methoxyphenoxy)ethyl]-4-propan-2-ylpiperazine

C16H26N2O2 — CID 47010456

IUPAC1-[2-(4-methoxyphenoxy)ethyl]-4-propan-2-ylpiperazine
SMILESCOc1ccc(OCCN2CCN(C(C)C)CC2)cc1
InChIInChI=1S/C16H26N2O2/c1-14(2)18-10-8-17(9-11-18)12-13-20-16-6-4-15(19-3)5-7-16/h4-7,14H,8-13H2,1-3H3
InChIKeyORSRTELUWHFNJB-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.10
Rot. Bonds6

About 1-[2-(4-methoxyphenoxy)ethyl]-4-propan-2-ylpiperazine

1-[2-(4-methoxyphenoxy)ethyl]-4-propan-2-ylpiperazine (PubChem CID 47010456) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenoxy)ethyl]-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[2-(4-methoxyphenoxy)ethyl]-4-propan-2-ylpiperazine
PubChem CID47010456
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1-[2-(4-methoxyphenoxy)ethyl]-4-propan-2-ylpiperazine
SMILESCOc1ccc(OCCN2CCN(C(C)C)CC2)cc1
InChIInChI=1S/C16H26N2O2/c1-14(2)18-10-8-17(9-11-18)12-13-20-16-6-4-15(19-3)5-7-16/h4-7,14H,8-13H2,1-3H3
InChIKeyORSRTELUWHFNJB-UHFFFAOYSA-N
XLogP2.10
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]phenyl]methanamine
CID 43585070
1-[2-(4-methoxyphenyl)ethyl]-4-propan-2-ylpiperazine
CID 175628874
1-[2-(4-methoxyphenoxy)ethyl]azepane
CID 888209
5-[(1R)-1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole
CID 95311723
1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-3-methylbutan-1-one
CID 113074770
1-[2-(4-methoxyphenoxy)ethyl]-4-(4-methoxyphenyl)sulfanylpiperazine
CID 145385091
(2S)-N-(tert-butylcarbamoyl)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]propanamide
CID 9494194
3-cyclopropyl-5-[1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 47053117
1-[(4-ethoxyphenyl)methyl]-4-[2-(4-methoxyphenoxy)ethyl]piperazine
CID 141313696
(2R)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-N-(4-propan-2-ylphenyl)propanamide
CID 9259058
4-[2-(4-butan-2-ylpiperazin-1-yl)ethoxy]aniline
CID 62774580
N-butan-2-yl-4-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide
CID 113104323

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenoxy)ethyl]-4-propan-2-ylpiperazine?
The IUPAC name of 1-[2-(4-methoxyphenoxy)ethyl]-4-propan-2-ylpiperazine (CID 47010456) is 1-[2-(4-methoxyphenoxy)ethyl]-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-[2-(4-methoxyphenoxy)ethyl]-4-propan-2-ylpiperazine?
The canonical SMILES for 1-[2-(4-methoxyphenoxy)ethyl]-4-propan-2-ylpiperazine is COc1ccc(OCCN2CCN(C(C)C)CC2)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenoxy)ethyl]-4-propan-2-ylpiperazine?
The InChIKey is ORSRTELUWHFNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-14(2)18-10-8-17(9-11-18)12-13-20-16-6-4-15(19-3)5-7-16/h4-7,14H,8-13H2,1-3H3.
What are the key properties of 1-[2-(4-methoxyphenoxy)ethyl]-4-propan-2-ylpiperazine?
1-[2-(4-methoxyphenoxy)ethyl]-4-propan-2-ylpiperazine has a molecular weight of 278.40 g/mol, XLogP of 2.10, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenoxy)ethyl]-4-propan-2-ylpiperazine is sourced from PubChem (CID 47010456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).