1-[3-(3-methylphenoxy)propyl]piperidin-4-ol

C15H23NO2 — CID 39352208

IUPAC1-[3-(3-methylphenoxy)propyl]piperidin-4-ol
SMILESCc1cccc(OCCCN2CCC(O)CC2)c1
InChIInChI=1S/C15H23NO2/c1-13-4-2-5-15(12-13)18-11-3-8-16-9-6-14(17)7-10-16/h2,4-5,12,14,17H,3,6-11H2,1H3
InChIKeyQIXFPCQGAFNILM-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.22
Rot. Bonds5

About 1-[3-(3-methylphenoxy)propyl]piperidin-4-ol

1-[3-(3-methylphenoxy)propyl]piperidin-4-ol (PubChem CID 39352208) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-[3-(3-methylphenoxy)propyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[3-(3-methylphenoxy)propyl]piperidin-4-ol
PubChem CID39352208
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name1-[3-(3-methylphenoxy)propyl]piperidin-4-ol
SMILESCc1cccc(OCCCN2CCC(O)CC2)c1
InChIInChI=1S/C15H23NO2/c1-13-4-2-5-15(12-13)18-11-3-8-16-9-6-14(17)7-10-16/h2,4-5,12,14,17H,3,6-11H2,1H3
InChIKeyQIXFPCQGAFNILM-UHFFFAOYSA-N
XLogP2.22
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.22
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-methylphenoxy)propyl]piperidine-4-carboxylic acid
CID 43441464
2-[4-[3-(3-methylphenoxy)propyl]piperazin-1-yl]ethanol
CID 60669962
[4-methyl-1-[3-(3-methylphenoxy)propyl]piperidin-3-yl]methanamine
CID 114961293
1-[6-(3-methylphenoxy)hexyl]pyrrolidine
CID 2057335
4-methyl-1-[3-(3-methylphenoxy)propyl]piperidine-4-carboxylic acid
CID 63124737
N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-5-(3-methylphenoxy)pentanamide
CID 56552060
[3-methyl-1-[2-(3-methylphenoxy)ethyl]pyrrolidin-2-yl]methanol
CID 102788914
1-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]-4-[2-(3-methylphenoxy)ethyl]piperazine
CID 56822381
1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene
CID 2237989
1-[1-[3-(3-methylphenoxy)propyl]azetidin-3-yl]piperazine
CID 66195592
4-methyl-1-[3-(3-methylphenoxy)propyl]pyrrolidine-3-carboxylic acid
CID 63721052
1-[3-(3-methoxyphenoxy)propyl]piperidin-4-amine
CID 28802855

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-methylphenoxy)propyl]piperidin-4-ol?
The IUPAC name of 1-[3-(3-methylphenoxy)propyl]piperidin-4-ol (CID 39352208) is 1-[3-(3-methylphenoxy)propyl]piperidin-4-ol.
What is the SMILES notation for 1-[3-(3-methylphenoxy)propyl]piperidin-4-ol?
The canonical SMILES for 1-[3-(3-methylphenoxy)propyl]piperidin-4-ol is Cc1cccc(OCCCN2CCC(O)CC2)c1.
What is the InChIKey of 1-[3-(3-methylphenoxy)propyl]piperidin-4-ol?
The InChIKey is QIXFPCQGAFNILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-13-4-2-5-15(12-13)18-11-3-8-16-9-6-14(17)7-10-16/h2,4-5,12,14,17H,3,6-11H2,1H3.
What are the key properties of 1-[3-(3-methylphenoxy)propyl]piperidin-4-ol?
1-[3-(3-methylphenoxy)propyl]piperidin-4-ol has a molecular weight of 249.35 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-methylphenoxy)propyl]piperidin-4-ol is sourced from PubChem (CID 39352208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).