1-[(5-ethyl-3-methoxy-2-octoxyphenyl)methyl]piperazine

C22H38N2O2 — CID 175598392

IUPAC1-[(5-ethyl-3-methoxy-2-octoxyphenyl)methyl]piperazine
SMILESCCCCCCCCOc1c(CN2CCNCC2)cc(CC)cc1OC
InChIInChI=1S/C22H38N2O2/c1-4-6-7-8-9-10-15-26-22-20(18-24-13-11-23-12-14-24)16-19(5-2)17-21(22)25-3/h16-17,23H,4-15,18H2,1-3H3
InChIKeyRDPMPGMJGABGFA-UHFFFAOYSA-N
MW362.56 g/mol
LogP4.40
Rot. Bonds12

About 1-[(5-ethyl-3-methoxy-2-octoxyphenyl)methyl]piperazine

1-[(5-ethyl-3-methoxy-2-octoxyphenyl)methyl]piperazine (PubChem CID 175598392) has the molecular formula C22H38N2O2 and a molecular weight of 362.56 g/mol. Its IUPAC name is 1-[(5-ethyl-3-methoxy-2-octoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(5-ethyl-3-methoxy-2-octoxyphenyl)methyl]piperazine
PubChem CID175598392
Molecular FormulaC22H38N2O2
Molecular Weight362.56 g/mol
Exact Mass362.29
IUPAC Name1-[(5-ethyl-3-methoxy-2-octoxyphenyl)methyl]piperazine
SMILESCCCCCCCCOc1c(CN2CCNCC2)cc(CC)cc1OC
InChIInChI=1S/C22H38N2O2/c1-4-6-7-8-9-10-15-26-22-20(18-24-13-11-23-12-14-24)16-19(5-2)17-21(22)25-3/h16-17,23H,4-15,18H2,1-3H3
InChIKeyRDPMPGMJGABGFA-UHFFFAOYSA-N
XLogP4.40
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.56
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(2-dodecoxy-5-ethyl-3-methoxyphenyl)methyl]-4-methylpiperazine
CID 171784920
1-[(5-ethyl-2,3-dimethoxyphenyl)methyl]piperazine
CID 117415820
1-[(5-ethyl-3-fluoro-2-methoxyphenyl)methyl]piperazine
CID 117384414
N,N'-bis[(5-ethyl-3-methoxy-2-octoxyphenyl)methyl]-N,N'-dimethylethane-1,2-diamine oxide
CID 172516334
1-[(4-methoxy-3-propoxyphenyl)methyl]piperazine
CID 39364163
1-[(3-fluoro-2,4,5-trimethoxyphenyl)methyl]piperazine
CID 117457867
5-ethyl-1,2,3-triheptoxybenzene
CID 66940139
2-bromo-4-ethyl-6-(piperazin-1-ylmethyl)phenol
CID 117482043
1-[(5-chloro-3-ethyl-2-methoxyphenyl)methyl]piperazine
CID 117425714
1-[(2,4,5-trimethoxyphenyl)methyl]piperazine;hydrochloride
CID 46736385
(4-heptoxy-3,5-dimethoxyphenyl)methanol
CID 43516772
1-[(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)methyl]piperazine
CID 117495714

Frequently Asked Questions

What is the IUPAC name of 1-[(5-ethyl-3-methoxy-2-octoxyphenyl)methyl]piperazine?
The IUPAC name of 1-[(5-ethyl-3-methoxy-2-octoxyphenyl)methyl]piperazine (CID 175598392) is 1-[(5-ethyl-3-methoxy-2-octoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(5-ethyl-3-methoxy-2-octoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-[(5-ethyl-3-methoxy-2-octoxyphenyl)methyl]piperazine is CCCCCCCCOc1c(CN2CCNCC2)cc(CC)cc1OC.
What is the InChIKey of 1-[(5-ethyl-3-methoxy-2-octoxyphenyl)methyl]piperazine?
The InChIKey is RDPMPGMJGABGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38N2O2/c1-4-6-7-8-9-10-15-26-22-20(18-24-13-11-23-12-14-24)16-19(5-2)17-21(22)25-3/h16-17,23H,4-15,18H2,1-3H3.
What are the key properties of 1-[(5-ethyl-3-methoxy-2-octoxyphenyl)methyl]piperazine?
1-[(5-ethyl-3-methoxy-2-octoxyphenyl)methyl]piperazine has a molecular weight of 362.56 g/mol, XLogP of 4.40, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-ethyl-3-methoxy-2-octoxyphenyl)methyl]piperazine is sourced from PubChem (CID 175598392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).