1-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-4-(2-methoxyphenyl)piperidin-4-ol

C24H31NO4 — CID 46966235

IUPAC1-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-4-(2-methoxyphenyl)piperidin-4-ol
SMILESC=CCc1cc(CN2CCC(O)(c3ccccc3OC)CC2)cc(OC)c1OC
InChIInChI=1S/C24H31NO4/c1-5-8-19-15-18(16-22(28-3)23(19)29-4)17-25-13-11-24(26,12-14-25)20-9-6-7-10-21(20)27-2/h5-7,9-10,15-16,26H,1,8,11-14,17H2,2-4H3
InChIKeyCPIWGUFOLOWHEC-UHFFFAOYSA-N
MW397.52 g/mol
LogP3.92
Rot. Bonds8

About 1-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-4-(2-methoxyphenyl)piperidin-4-ol

1-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-4-(2-methoxyphenyl)piperidin-4-ol (PubChem CID 46966235) has the molecular formula C24H31NO4 and a molecular weight of 397.52 g/mol. Its IUPAC name is 1-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-4-(2-methoxyphenyl)piperidin-4-ol.

Molecular Properties

Compound Name1-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-4-(2-methoxyphenyl)piperidin-4-ol
PubChem CID46966235
Molecular FormulaC24H31NO4
Molecular Weight397.52 g/mol
Exact Mass397.23
IUPAC Name1-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-4-(2-methoxyphenyl)piperidin-4-ol
SMILESC=CCc1cc(CN2CCC(O)(c3ccccc3OC)CC2)cc(OC)c1OC
InChIInChI=1S/C24H31NO4/c1-5-8-19-15-18(16-22(28-3)23(19)29-4)17-25-13-11-24(26,12-14-25)20-9-6-7-10-21(20)27-2/h5-7,9-10,15-16,26H,1,8,11-14,17H2,2-4H3
InChIKeyCPIWGUFOLOWHEC-UHFFFAOYSA-N
XLogP3.92
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 53.92
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

(3S)-1-benzyl-3-(2-methoxyphenyl)pyrrolidin-3-ol
CID 129372424
[1-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]pyrrolidin-3-yl]methanol
CID 43818111
1-[[4-ethoxy-3-(imidazol-1-ylmethyl)phenyl]methyl]-4-(2-methoxyphenyl)piperidin-4-ol
CID 46965802
4-(2-methoxyphenyl)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-ol
CID 46966006
4-(2-methoxyphenyl)-1-[(2-prop-2-ynoxyphenyl)methyl]piperidin-4-ol
CID 46966233
4-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]-2-methoxy-6-prop-2-enylphenol
CID 120780624
1-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-2-methyl-3-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]guanidine
CID 111394063
1-(1-benzylpiperidin-4-yl)-3-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-2-methylguanidine
CID 110986350
1-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-4-(2-methoxyphenyl)piperidin-4-ol
CID 16673537
1-[(5-fluoro-2-methyl-1H-indol-3-yl)methyl]-4-(2-methoxyphenyl)piperidin-4-ol
CID 46965891
1-(2,2-dimethyl-3-piperidin-1-ylpropyl)-4-(2-methoxyphenyl)piperidin-4-ol
CID 46965801
(3,4-dimethoxy-5-prop-2-enylphenyl)methanamine
CID 47002652

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-4-(2-methoxyphenyl)piperidin-4-ol?
The IUPAC name of 1-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-4-(2-methoxyphenyl)piperidin-4-ol (CID 46966235) is 1-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-4-(2-methoxyphenyl)piperidin-4-ol.
What is the SMILES notation for 1-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-4-(2-methoxyphenyl)piperidin-4-ol?
The canonical SMILES for 1-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-4-(2-methoxyphenyl)piperidin-4-ol is C=CCc1cc(CN2CCC(O)(c3ccccc3OC)CC2)cc(OC)c1OC.
What is the InChIKey of 1-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-4-(2-methoxyphenyl)piperidin-4-ol?
The InChIKey is CPIWGUFOLOWHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO4/c1-5-8-19-15-18(16-22(28-3)23(19)29-4)17-25-13-11-24(26,12-14-25)20-9-6-7-10-21(20)27-2/h5-7,9-10,15-16,26H,1,8,11-14,17H2,2-4H3.
What are the key properties of 1-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-4-(2-methoxyphenyl)piperidin-4-ol?
1-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-4-(2-methoxyphenyl)piperidin-4-ol has a molecular weight of 397.52 g/mol, XLogP of 3.92, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-4-(2-methoxyphenyl)piperidin-4-ol is sourced from PubChem (CID 46966235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).