2-(2-methoxyphenyl)-1-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]piperazine

C22H28N2O3 — CID 120767579

IUPAC2-(2-methoxyphenyl)-1-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]piperazine
SMILESC=CCOc1ccc(CN2CCNCC2c2ccccc2OC)cc1OC
InChIInChI=1S/C22H28N2O3/c1-4-13-27-21-10-9-17(14-22(21)26-3)16-24-12-11-23-15-19(24)18-7-5-6-8-20(18)25-2/h4-10,14,19,23H,1,11-13,15-16H2,2-3H3
InChIKeyYKRDSWSCNNNDRX-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.42
Rot. Bonds8

About 2-(2-methoxyphenyl)-1-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]piperazine

2-(2-methoxyphenyl)-1-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]piperazine (PubChem CID 120767579) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-1-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-1-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]piperazine
PubChem CID120767579
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name2-(2-methoxyphenyl)-1-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]piperazine
SMILESC=CCOc1ccc(CN2CCNCC2c2ccccc2OC)cc1OC
InChIInChI=1S/C22H28N2O3/c1-4-13-27-21-10-9-17(14-22(21)26-3)16-24-12-11-23-15-19(24)18-7-5-6-8-20(18)25-2/h4-10,14,19,23H,1,11-13,15-16H2,2-3H3
InChIKeyYKRDSWSCNNNDRX-UHFFFAOYSA-N
XLogP3.42
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-2-(2-methoxyphenyl)piperazine
CID 120767587
2-(2-chlorophenyl)-1-[[3-methoxy-4-(2-methoxyethoxy)phenyl]methyl]piperazine
CID 120768816
1-but-3-enyl-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120753931
2-(2-methoxyphenyl)-1-[(6-methyl-3-pyridinyl)methyl]piperazine;hydrochloride
CID 120767246
N-[3-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl]acetamide
CID 120754114
1-[[3-(difluoromethoxy)phenyl]methyl]-2-(2-methoxyphenyl)piperazine
CID 120754169
N-[3-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl]acetamide;hydrochloride
CID 120754113
1-[(3-chloro-4-nitrophenyl)methyl]-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120846326
1-[2-(2-methoxyphenoxy)ethyl]-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120753829
3-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-N,N-dimethylbenzenesulfonamide
CID 120754221
2-(2-methoxyphenyl)-1-[(2-methoxy-5-pyridin-4-ylphenyl)methyl]piperazine
CID 120767270
[3-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone;hydrochloride
CID 120753770

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-1-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]piperazine?
The IUPAC name of 2-(2-methoxyphenyl)-1-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]piperazine (CID 120767579) is 2-(2-methoxyphenyl)-1-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]piperazine.
What is the SMILES notation for 2-(2-methoxyphenyl)-1-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]piperazine?
The canonical SMILES for 2-(2-methoxyphenyl)-1-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]piperazine is C=CCOc1ccc(CN2CCNCC2c2ccccc2OC)cc1OC.
What is the InChIKey of 2-(2-methoxyphenyl)-1-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]piperazine?
The InChIKey is YKRDSWSCNNNDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-4-13-27-21-10-9-17(14-22(21)26-3)16-24-12-11-23-15-19(24)18-7-5-6-8-20(18)25-2/h4-10,14,19,23H,1,11-13,15-16H2,2-3H3.
What are the key properties of 2-(2-methoxyphenyl)-1-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]piperazine?
2-(2-methoxyphenyl)-1-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]piperazine has a molecular weight of 368.48 g/mol, XLogP of 3.42, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-1-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]piperazine is sourced from PubChem (CID 120767579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).