1-benzyl-4-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]piperazine

C23H30N2O2 — CID 2977166

IUPAC1-benzyl-4-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]piperazine
SMILESC=CCc1ccc(OCCN2CCN(Cc3ccccc3)CC2)c(OC)c1
InChIInChI=1S/C23H30N2O2/c1-3-7-20-10-11-22(23(18-20)26-2)27-17-16-24-12-14-25(15-13-24)19-21-8-5-4-6-9-21/h3-6,8-11,18H,1,7,12-17,19H2,2H3
InChIKeySSNILAIRJJCZKF-UHFFFAOYSA-N
MW366.51 g/mol
LogP3.62
Rot. Bonds9

About 1-benzyl-4-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]piperazine

1-benzyl-4-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]piperazine (PubChem CID 2977166) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 1-benzyl-4-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]piperazine.

Molecular Properties

Compound Name1-benzyl-4-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]piperazine
PubChem CID2977166
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC Name1-benzyl-4-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]piperazine
SMILESC=CCc1ccc(OCCN2CCN(Cc3ccccc3)CC2)c(OC)c1
InChIInChI=1S/C23H30N2O2/c1-3-7-20-10-11-22(23(18-20)26-2)27-17-16-24-12-14-25(15-13-24)19-21-8-5-4-6-9-21/h3-6,8-11,18H,1,7,12-17,19H2,2H3
InChIKeySSNILAIRJJCZKF-UHFFFAOYSA-N
XLogP3.62
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-4-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl]piperazine
CID 2232243
(2R,6R)-4-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]-2,6-dimethylmorpholine
CID 888280
1-[2-(4-benzyl-2-methoxyphenoxy)ethyl]pyrrolidine
CID 10638790
1-[2-[2-(2-methoxy-4-prop-2-enylphenoxy)ethoxy]ethyl]azepane;oxalic acid
CID 2944725
2-methoxy-1-[6-(2-methoxy-4-prop-2-enylphenoxy)hexoxy]-4-prop-2-enylbenzene
CID 19906474
1-[2-[2-(2-methoxy-4-prop-2-enylphenoxy)ethoxy]ethyl]-4-methylpiperidine;oxalic acid
CID 16614115
4-[2-(4-benzylpiperazin-1-yl)ethoxy]-3,5-dimethoxybenzaldehyde
CID 87531019
1-butoxy-2-methoxy-4-prop-2-enylbenzene
CID 3019586
2-[3-(2-methoxy-4-prop-2-enylphenoxy)propyl]isoindole-1,3-dione
CID 2966288
1-[4-(2-bromophenoxy)butoxy]-2-methoxy-4-prop-2-enylbenzene
CID 2899492
2-methoxy-1-pentoxy-4-prop-2-enylbenzene
CID 3024287
potassium;hydride;2-methoxy-4-prop-2-enyl-1-propoxybenzene
CID 175484509

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]piperazine?
The IUPAC name of 1-benzyl-4-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]piperazine (CID 2977166) is 1-benzyl-4-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]piperazine.
What is the SMILES notation for 1-benzyl-4-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]piperazine?
The canonical SMILES for 1-benzyl-4-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]piperazine is C=CCc1ccc(OCCN2CCN(Cc3ccccc3)CC2)c(OC)c1.
What is the InChIKey of 1-benzyl-4-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]piperazine?
The InChIKey is SSNILAIRJJCZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-3-7-20-10-11-22(23(18-20)26-2)27-17-16-24-12-14-25(15-13-24)19-21-8-5-4-6-9-21/h3-6,8-11,18H,1,7,12-17,19H2,2H3.
What are the key properties of 1-benzyl-4-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]piperazine?
1-benzyl-4-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]piperazine has a molecular weight of 366.51 g/mol, XLogP of 3.62, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]piperazine is sourced from PubChem (CID 2977166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).