1-ethyl-4-[3-(2-phenylmethoxyphenoxy)propyl]piperazine

C22H30N2O2 — CID 2961785

IUPAC1-ethyl-4-[3-(2-phenylmethoxyphenoxy)propyl]piperazine
SMILESCCN1CCN(CCCOc2ccccc2OCc2ccccc2)CC1
InChIInChI=1S/C22H30N2O2/c1-2-23-14-16-24(17-15-23)13-8-18-25-21-11-6-7-12-22(21)26-19-20-9-4-3-5-10-20/h3-7,9-12H,2,8,13-19H2,1H3
InChIKeyBDBUNCDLROLGOW-UHFFFAOYSA-N
MW354.49 g/mol
LogP3.67
Rot. Bonds9

About 1-ethyl-4-[3-(2-phenylmethoxyphenoxy)propyl]piperazine

1-ethyl-4-[3-(2-phenylmethoxyphenoxy)propyl]piperazine (PubChem CID 2961785) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is 1-ethyl-4-[3-(2-phenylmethoxyphenoxy)propyl]piperazine.

Molecular Properties

Compound Name1-ethyl-4-[3-(2-phenylmethoxyphenoxy)propyl]piperazine
PubChem CID2961785
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC Name1-ethyl-4-[3-(2-phenylmethoxyphenoxy)propyl]piperazine
SMILESCCN1CCN(CCCOc2ccccc2OCc2ccccc2)CC1
InChIInChI=1S/C22H30N2O2/c1-2-23-14-16-24(17-15-23)13-8-18-25-21-11-6-7-12-22(21)26-19-20-9-4-3-5-10-20/h3-7,9-12H,2,8,13-19H2,1H3
InChIKeyBDBUNCDLROLGOW-UHFFFAOYSA-N
XLogP3.67
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-4-(3-phenoxypropyl)piperazine
CID 51072960
1-[3-(2-benzylphenoxy)propyl]-4-ethylpiperazine;oxalic acid
CID 2961060
1-[2-(2-benzylphenoxy)ethyl]-4-ethylpiperazine
CID 2960969
1-ethyl-4-[3-(2-phenylphenoxy)propyl]piperazine;oxalic acid
CID 2961405
2-[3-(4-ethylpiperazin-1-yl)propoxy]benzenecarbothioamide
CID 43290468
1-(2-methoxyphenyl)-4-[3-(4-phenylmethoxyphenoxy)propyl]piperazine
CID 139690645
1-methyl-4-[(3S)-3-phenyl-3-(2-phenylmethoxyphenoxy)propyl]piperazine
CID 1049225
1,4-bis(2-phenylmethoxyethyl)piperazine
CID 2973061
2-[(4-chlorophenyl)methoxy]-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide
CID 55660052
1-methyl-4-(2-phenylmethoxyethyl)piperazine
CID 13309119
1-[2-(2-butoxyphenoxy)ethyl]-4-methylpiperazine;hydrochloride
CID 2996491
1-[3-(2-ethylphenoxy)propyl]pyrrolidine
CID 2262767

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[3-(2-phenylmethoxyphenoxy)propyl]piperazine?
The IUPAC name of 1-ethyl-4-[3-(2-phenylmethoxyphenoxy)propyl]piperazine (CID 2961785) is 1-ethyl-4-[3-(2-phenylmethoxyphenoxy)propyl]piperazine.
What is the SMILES notation for 1-ethyl-4-[3-(2-phenylmethoxyphenoxy)propyl]piperazine?
The canonical SMILES for 1-ethyl-4-[3-(2-phenylmethoxyphenoxy)propyl]piperazine is CCN1CCN(CCCOc2ccccc2OCc2ccccc2)CC1.
What is the InChIKey of 1-ethyl-4-[3-(2-phenylmethoxyphenoxy)propyl]piperazine?
The InChIKey is BDBUNCDLROLGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2/c1-2-23-14-16-24(17-15-23)13-8-18-25-21-11-6-7-12-22(21)26-19-20-9-4-3-5-10-20/h3-7,9-12H,2,8,13-19H2,1H3.
What are the key properties of 1-ethyl-4-[3-(2-phenylmethoxyphenoxy)propyl]piperazine?
1-ethyl-4-[3-(2-phenylmethoxyphenoxy)propyl]piperazine has a molecular weight of 354.49 g/mol, XLogP of 3.67, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[3-(2-phenylmethoxyphenoxy)propyl]piperazine is sourced from PubChem (CID 2961785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).