1-[3-(3,4-dimethylphenoxy)propyl]-3-methylpiperidin-4-ol

C17H27NO2 — CID 114681284

IUPAC1-[3-(3,4-dimethylphenoxy)propyl]-3-methylpiperidin-4-ol
SMILESCc1ccc(OCCCN2CCC(O)C(C)C2)cc1C
InChIInChI=1S/C17H27NO2/c1-13-5-6-16(11-14(13)2)20-10-4-8-18-9-7-17(19)15(3)12-18/h5-6,11,15,17,19H,4,7-10,12H2,1-3H3
InChIKeyGHKMNSDLILDPHD-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.78
Rot. Bonds5

About 1-[3-(3,4-dimethylphenoxy)propyl]-3-methylpiperidin-4-ol

1-[3-(3,4-dimethylphenoxy)propyl]-3-methylpiperidin-4-ol (PubChem CID 114681284) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-[3-(3,4-dimethylphenoxy)propyl]-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[3-(3,4-dimethylphenoxy)propyl]-3-methylpiperidin-4-ol
PubChem CID114681284
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name1-[3-(3,4-dimethylphenoxy)propyl]-3-methylpiperidin-4-ol
SMILESCc1ccc(OCCCN2CCC(O)C(C)C2)cc1C
InChIInChI=1S/C17H27NO2/c1-13-5-6-16(11-14(13)2)20-10-4-8-18-9-7-17(19)15(3)12-18/h5-6,11,15,17,19H,4,7-10,12H2,1-3H3
InChIKeyGHKMNSDLILDPHD-UHFFFAOYSA-N
XLogP2.78
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[3-(3,4-dimethylphenoxy)propyl]-3-methylpiperidin-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(3,5-dimethylphenoxy)propyl]-3-methylpiperidin-4-ol
CID 114681512
1-[3-(3,4-dimethylphenoxy)propyl]pyrrolidine-3,4-diol
CID 106672455
1-[3-(4-fluorophenoxy)propyl]-3-methylpiperidin-4-ol
CID 114681363
1-[2-(2,5-dimethylphenoxy)ethyl]-3-methylpiperidin-4-ol
CID 114681408
1-[2-[4-(aminomethyl)phenoxy]ethyl]-3-methylpiperidin-4-ol
CID 114678048
1-[4-(3,4-dimethylphenoxy)butyl]azepane
CID 2194954
1-[2-(3-aminophenoxy)ethyl]-3-methylpiperidin-4-ol
CID 114677878
1-[2-[3-(aminomethyl)phenoxy]ethyl]-3-methylpiperidin-4-ol
CID 114678030
(2R,6R)-4-[4-(3,4-dimethylphenoxy)butyl]-2,6-dimethylmorpholine
CID 2184552
3-[2-(4-hydroxy-3-methylpiperidin-1-yl)ethoxy]benzoic acid
CID 114679124
1-[3-(3,4-dimethylphenoxy)propyl]-1,4-diazepane
CID 43162422
1-[2-(3,4-dimethylphenoxy)ethyl]piperidine-4-carbonitrile
CID 39359835

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,4-dimethylphenoxy)propyl]-3-methylpiperidin-4-ol?
The IUPAC name of 1-[3-(3,4-dimethylphenoxy)propyl]-3-methylpiperidin-4-ol (CID 114681284) is 1-[3-(3,4-dimethylphenoxy)propyl]-3-methylpiperidin-4-ol.
What is the SMILES notation for 1-[3-(3,4-dimethylphenoxy)propyl]-3-methylpiperidin-4-ol?
The canonical SMILES for 1-[3-(3,4-dimethylphenoxy)propyl]-3-methylpiperidin-4-ol is Cc1ccc(OCCCN2CCC(O)C(C)C2)cc1C.
What is the InChIKey of 1-[3-(3,4-dimethylphenoxy)propyl]-3-methylpiperidin-4-ol?
The InChIKey is GHKMNSDLILDPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-13-5-6-16(11-14(13)2)20-10-4-8-18-9-7-17(19)15(3)12-18/h5-6,11,15,17,19H,4,7-10,12H2,1-3H3.
What are the key properties of 1-[3-(3,4-dimethylphenoxy)propyl]-3-methylpiperidin-4-ol?
1-[3-(3,4-dimethylphenoxy)propyl]-3-methylpiperidin-4-ol has a molecular weight of 277.41 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,4-dimethylphenoxy)propyl]-3-methylpiperidin-4-ol is sourced from PubChem (CID 114681284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).