4-methoxy-2-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]phenol

C21H26N2O2 — CID 782278

IUPAC4-methoxy-2-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]phenol
SMILESCOc1ccc(O)c(CN2CCN(CC=Cc3ccccc3)CC2)c1
InChIInChI=1S/C21H26N2O2/c1-25-20-9-10-21(24)19(16-20)17-23-14-12-22(13-15-23)11-5-8-18-6-3-2-4-7-18/h2-10,16,24H,11-15,17H2,1H3
InChIKeyLKOBJRSGVWILBT-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.23
Rot. Bonds6

About 4-methoxy-2-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]phenol

4-methoxy-2-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]phenol (PubChem CID 782278) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 4-methoxy-2-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]phenol.

Molecular Properties

Compound Name4-methoxy-2-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]phenol
PubChem CID782278
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name4-methoxy-2-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]phenol
SMILESCOc1ccc(O)c(CN2CCN(CC=Cc3ccccc3)CC2)c1
InChIInChI=1S/C21H26N2O2/c1-25-20-9-10-21(24)19(16-20)17-23-14-12-22(13-15-23)11-5-8-18-6-3-2-4-7-18/h2-10,16,24H,11-15,17H2,1H3
InChIKeyLKOBJRSGVWILBT-UHFFFAOYSA-N
XLogP3.23
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

4-(6-methoxy-2-pyridinyl)-2-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]phenol
CID 136666322
4-methoxy-2-[(Z)-3-phenylprop-2-enyl]phenol
CID 10263673
7-methoxy-4-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]chromen-2-one
CID 3570603
4-methoxy-2-[(4-propylpiperazin-1-yl)methyl]phenol
CID 82975290
(2-bromo-5-methoxyphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 4807090
2-[4-[(2-hydroxy-5-methoxyphenyl)methyl]-1,4-diazepan-1-yl]acetic acid
CID 65061405
1-[(2-methylphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 1377377
1-[(2,4-dimethoxy-3-methylphenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine
CID 1376874
2-[(4-benzylpiperazin-1-yl)methyl]-5-methoxyphenol
CID 783532
4-methoxy-2-(1,4,7-triazonan-1-ylmethyl)phenol
CID 165144364
2-[[4-[(4-bromophenyl)methyl]piperazin-1-yl]methyl]-4-methoxyphenol
CID 1371281
5-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]quinolin-8-ol
CID 4269194

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]phenol?
The IUPAC name of 4-methoxy-2-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]phenol (CID 782278) is 4-methoxy-2-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]phenol.
What is the SMILES notation for 4-methoxy-2-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]phenol?
The canonical SMILES for 4-methoxy-2-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]phenol is COc1ccc(O)c(CN2CCN(CC=Cc3ccccc3)CC2)c1.
What is the InChIKey of 4-methoxy-2-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]phenol?
The InChIKey is LKOBJRSGVWILBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-25-20-9-10-21(24)19(16-20)17-23-14-12-22(13-15-23)11-5-8-18-6-3-2-4-7-18/h2-10,16,24H,11-15,17H2,1H3.
What are the key properties of 4-methoxy-2-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]phenol?
4-methoxy-2-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]phenol has a molecular weight of 338.45 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]phenol is sourced from PubChem (CID 782278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).