1-[3-(3,5-dimethylphenoxy)propyl]-3-methylpiperidin-4-ol

C17H27NO2 — CID 114681512

IUPAC1-[3-(3,5-dimethylphenoxy)propyl]-3-methylpiperidin-4-ol
SMILESCc1cc(C)cc(OCCCN2CCC(O)C(C)C2)c1
InChIInChI=1S/C17H27NO2/c1-13-9-14(2)11-16(10-13)20-8-4-6-18-7-5-17(19)15(3)12-18/h9-11,15,17,19H,4-8,12H2,1-3H3
InChIKeyGYHOGLNAMQXGJA-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.78
Rot. Bonds5

About 1-[3-(3,5-dimethylphenoxy)propyl]-3-methylpiperidin-4-ol

1-[3-(3,5-dimethylphenoxy)propyl]-3-methylpiperidin-4-ol (PubChem CID 114681512) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-[3-(3,5-dimethylphenoxy)propyl]-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[3-(3,5-dimethylphenoxy)propyl]-3-methylpiperidin-4-ol
PubChem CID114681512
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name1-[3-(3,5-dimethylphenoxy)propyl]-3-methylpiperidin-4-ol
SMILESCc1cc(C)cc(OCCCN2CCC(O)C(C)C2)c1
InChIInChI=1S/C17H27NO2/c1-13-9-14(2)11-16(10-13)20-8-4-6-18-7-5-17(19)15(3)12-18/h9-11,15,17,19H,4-8,12H2,1-3H3
InChIKeyGYHOGLNAMQXGJA-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'}

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Related Compounds

1-[3-(3,4-dimethylphenoxy)propyl]-3-methylpiperidin-4-ol
CID 114681284
[1-[3-(3,5-dimethylphenoxy)propyl]pyrrolidin-3-yl]methanamine
CID 62063241
1-[3-(4-fluorophenoxy)propyl]-3-methylpiperidin-4-ol
CID 114681363
1-[3-(3,5-dimethylphenoxy)propyl]-4-methylpyrrolidin-3-amine
CID 103576527
(3S)-1-[3-(3,5-dimethylphenoxy)propyl]piperidine-3-carboxylic acid
CID 93048534
1-[2-(3-bromo-5-fluorophenoxy)ethyl]-3-methylpiperidin-4-ol
CID 119039460
1-[2-(3-aminophenoxy)ethyl]-3-methylpiperidin-4-ol
CID 114677878
1-[2-(2,5-dimethylphenoxy)ethyl]-3-methylpiperidin-4-ol
CID 114681408
1-[2-[2-(3,5-dimethylphenoxy)ethoxy]ethyl]-4-methylpiperidine
CID 2270730
1-[2-[4-(aminomethyl)phenoxy]ethyl]-3-methylpiperidin-4-ol
CID 114678048
[4-methyl-1-[3-(3-methylphenoxy)propyl]piperidin-3-yl]methanamine
CID 114961293
1-[2-(3-methoxypropoxy)ethyl]-3-methylpiperidin-4-ol
CID 103182854

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,5-dimethylphenoxy)propyl]-3-methylpiperidin-4-ol?
The IUPAC name of 1-[3-(3,5-dimethylphenoxy)propyl]-3-methylpiperidin-4-ol (CID 114681512) is 1-[3-(3,5-dimethylphenoxy)propyl]-3-methylpiperidin-4-ol.
What is the SMILES notation for 1-[3-(3,5-dimethylphenoxy)propyl]-3-methylpiperidin-4-ol?
The canonical SMILES for 1-[3-(3,5-dimethylphenoxy)propyl]-3-methylpiperidin-4-ol is Cc1cc(C)cc(OCCCN2CCC(O)C(C)C2)c1.
What is the InChIKey of 1-[3-(3,5-dimethylphenoxy)propyl]-3-methylpiperidin-4-ol?
The InChIKey is GYHOGLNAMQXGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-13-9-14(2)11-16(10-13)20-8-4-6-18-7-5-17(19)15(3)12-18/h9-11,15,17,19H,4-8,12H2,1-3H3.
What are the key properties of 1-[3-(3,5-dimethylphenoxy)propyl]-3-methylpiperidin-4-ol?
1-[3-(3,5-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-(3,5-dimethylphenoxy)propyl]-3-methylpiperidin-4-ol is sourced from PubChem (CID 114681512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).