1-[[4-[2-(3-methoxyphenoxy)ethyl]phenyl]methyl]piperazine

C20H26N2O2 — CID 67327483

IUPAC1-[[4-[2-(3-methoxyphenoxy)ethyl]phenyl]methyl]piperazine
SMILESCOc1cccc(OCCc2ccc(CN3CCNCC3)cc2)c1
InChIInChI=1S/C20H26N2O2/c1-23-19-3-2-4-20(15-19)24-14-9-17-5-7-18(8-6-17)16-22-12-10-21-11-13-22/h2-8,15,21H,9-14,16H2,1H3
InChIKeyMSAPITNGXJLYPJ-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.72
Rot. Bonds7

About 1-[[4-[2-(3-methoxyphenoxy)ethyl]phenyl]methyl]piperazine

1-[[4-[2-(3-methoxyphenoxy)ethyl]phenyl]methyl]piperazine (PubChem CID 67327483) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-[[4-[2-(3-methoxyphenoxy)ethyl]phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-[[4-[2-(3-methoxyphenoxy)ethyl]phenyl]methyl]piperazine
PubChem CID67327483
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name1-[[4-[2-(3-methoxyphenoxy)ethyl]phenyl]methyl]piperazine
SMILESCOc1cccc(OCCc2ccc(CN3CCNCC3)cc2)c1
InChIInChI=1S/C20H26N2O2/c1-23-19-3-2-4-20(15-19)24-14-9-17-5-7-18(8-6-17)16-22-12-10-21-11-13-22/h2-8,15,21H,9-14,16H2,1H3
InChIKeyMSAPITNGXJLYPJ-UHFFFAOYSA-N
XLogP2.72
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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1-[4-(3-methoxyphenyl)butyl]piperazine
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1-[[4-[2-(4-methoxyphenoxy)ethyl]phenyl]methyl]-4-phenylpiperazine
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1-[(4-methoxy-3-propoxyphenyl)methyl]piperazine
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1-[(4-ethoxyphenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperazine
CID 2168286
N-[2-(3-methoxyphenoxy)ethyl]-4-(piperidin-1-ylmethyl)benzamide
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1-[[2-(3-methoxyphenyl)phenyl]methyl]piperazine
CID 91111204
1-[(2-chloro-4-methoxyphenyl)methyl]piperazine
CID 5037695
4-[2-(3-methoxyphenoxy)ethyl]piperidine
CID 26192450
(2R)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-[2-(3-methoxyphenoxy)ethoxy]propan-2-ol
CID 9498868

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[2-(3-methoxyphenoxy)ethyl]phenyl]methyl]piperazine?
The IUPAC name of 1-[[4-[2-(3-methoxyphenoxy)ethyl]phenyl]methyl]piperazine (CID 67327483) is 1-[[4-[2-(3-methoxyphenoxy)ethyl]phenyl]methyl]piperazine.
What is the SMILES notation for 1-[[4-[2-(3-methoxyphenoxy)ethyl]phenyl]methyl]piperazine?
The canonical SMILES for 1-[[4-[2-(3-methoxyphenoxy)ethyl]phenyl]methyl]piperazine is COc1cccc(OCCc2ccc(CN3CCNCC3)cc2)c1.
What is the InChIKey of 1-[[4-[2-(3-methoxyphenoxy)ethyl]phenyl]methyl]piperazine?
The InChIKey is MSAPITNGXJLYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-23-19-3-2-4-20(15-19)24-14-9-17-5-7-18(8-6-17)16-22-12-10-21-11-13-22/h2-8,15,21H,9-14,16H2,1H3.
What are the key properties of 1-[[4-[2-(3-methoxyphenoxy)ethyl]phenyl]methyl]piperazine?
1-[[4-[2-(3-methoxyphenoxy)ethyl]phenyl]methyl]piperazine has a molecular weight of 326.44 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[2-(3-methoxyphenoxy)ethyl]phenyl]methyl]piperazine is sourced from PubChem (CID 67327483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).