1-(2,4-dimethoxyphenyl)-3,3-dimethylpiperidin-4-ol

C15H23NO3 — CID 117024245

IUPAC1-(2,4-dimethoxyphenyl)-3,3-dimethylpiperidin-4-ol
SMILESCOc1ccc(N2CCC(O)C(C)(C)C2)c(OC)c1
InChIInChI=1S/C15H23NO3/c1-15(2)10-16(8-7-14(15)17)12-6-5-11(18-3)9-13(12)19-4/h5-6,9,14,17H,7-8,10H2,1-4H3
InChIKeyWFKUFTBAKVNBHS-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.30
Rot. Bonds3

About 1-(2,4-dimethoxyphenyl)-3,3-dimethylpiperidin-4-ol

1-(2,4-dimethoxyphenyl)-3,3-dimethylpiperidin-4-ol (PubChem CID 117024245) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-3,3-dimethylpiperidin-4-ol.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-3,3-dimethylpiperidin-4-ol
PubChem CID117024245
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name1-(2,4-dimethoxyphenyl)-3,3-dimethylpiperidin-4-ol
SMILESCOc1ccc(N2CCC(O)C(C)(C)C2)c(OC)c1
InChIInChI=1S/C15H23NO3/c1-15(2)10-16(8-7-14(15)17)12-6-5-11(18-3)9-13(12)19-4/h5-6,9,14,17H,7-8,10H2,1-4H3
InChIKeyWFKUFTBAKVNBHS-UHFFFAOYSA-N
XLogP2.30
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-(2,4-dimethoxyphenyl)-3,3-dimethylpiperazine
CID 64924000
1-(2,4-dimethoxyphenyl)-N,2,2-trimethylpyrrolidin-3-amine
CID 117017135
1-(4-methoxyphenyl)-3,3-dimethylpiperidin-4-amine
CID 117024391
1-(2-bromophenyl)-3,3-dimethylpiperidin-4-ol
CID 117024252
3-[1-(2,4-dimethoxyphenyl)pyrrolidin-3-yl]-N-methylpropan-1-amine
CID 83982024
N-[[1-(2,4-dimethoxyphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine
CID 62512555
3-cyclopropyl-1-(2,4-dimethoxyphenyl)piperazine
CID 64924196
3-amino-1-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]propan-1-one
CID 4740951
3-(2,4-dimethoxyphenyl)-2,2-dimethylcyclobutan-1-ol
CID 81416329
(3R)-1-(4-amino-2-methoxyphenyl)pyrrolidin-3-ol
CID 67215346
1-(2,4-dimethoxyphenyl)-2-methyl-1,5-diazocane
CID 117014759
[1-(2,4-dimethoxyphenyl)-5,5-dimethylpyrrolidin-3-yl]methanamine
CID 117018796

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-3,3-dimethylpiperidin-4-ol?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-3,3-dimethylpiperidin-4-ol (CID 117024245) is 1-(2,4-dimethoxyphenyl)-3,3-dimethylpiperidin-4-ol.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-3,3-dimethylpiperidin-4-ol?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-3,3-dimethylpiperidin-4-ol is COc1ccc(N2CCC(O)C(C)(C)C2)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-3,3-dimethylpiperidin-4-ol?
The InChIKey is WFKUFTBAKVNBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-15(2)10-16(8-7-14(15)17)12-6-5-11(18-3)9-13(12)19-4/h5-6,9,14,17H,7-8,10H2,1-4H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)-3,3-dimethylpiperidin-4-ol?
1-(2,4-dimethoxyphenyl)-3,3-dimethylpiperidin-4-ol has a molecular weight of 265.35 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-3,3-dimethylpiperidin-4-ol is sourced from PubChem (CID 117024245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).