1-[3-(2,3,5-trimethylphenoxy)propyl]piperidine

C17H27NO — CID 2057820

IUPAC1-[3-(2,3,5-trimethylphenoxy)propyl]piperidine
SMILESCc1cc(C)c(C)c(OCCCN2CCCCC2)c1
InChIInChI=1S/C17H27NO/c1-14-12-15(2)16(3)17(13-14)19-11-7-10-18-8-5-4-6-9-18/h12-13H,4-11H2,1-3H3
InChIKeyFCKQWGQVPAJPHK-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.87
Rot. Bonds5

About 1-[3-(2,3,5-trimethylphenoxy)propyl]piperidine

1-[3-(2,3,5-trimethylphenoxy)propyl]piperidine (PubChem CID 2057820) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-[3-(2,3,5-trimethylphenoxy)propyl]piperidine.

Molecular Properties

Compound Name1-[3-(2,3,5-trimethylphenoxy)propyl]piperidine
PubChem CID2057820
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-[3-(2,3,5-trimethylphenoxy)propyl]piperidine
SMILESCc1cc(C)c(C)c(OCCCN2CCCCC2)c1
InChIInChI=1S/C17H27NO/c1-14-12-15(2)16(3)17(13-14)19-11-7-10-18-8-5-4-6-9-18/h12-13H,4-11H2,1-3H3
InChIKeyFCKQWGQVPAJPHK-UHFFFAOYSA-N
XLogP3.87
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-4-[4-(2,3,5-trimethylphenoxy)butyl]piperazine
CID 2216167
(3R,5S)-3,5-dimethyl-1-[3-(2,3,5-trimethylphenoxy)propyl]piperidine
CID 2181589
4-[2-(2,3,5-trimethylphenoxy)ethyl]morpholine
CID 868362
1-[3-(2-chloro-4,6-dimethylphenoxy)propyl]piperidine
CID 2263039
1-[5-(2,3-dimethylphenoxy)pentyl]piperidine
CID 2057431
(1S)-1-[4-methyl-2-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanamine
CID 63650259
3,5-dimethyl-1-[3-(2,3,5-trimethylphenoxy)propyl]piperidine;oxalic acid
CID 2934212
1-[3-(2-bromo-4-methylphenoxy)propyl]pyrrolidine
CID 2299479
1-[3-(4-bromo-2-methylphenoxy)propyl]pyrrolidine
CID 2296987
4-methyl-3-(3-piperidin-1-ylpropoxy)benzoic acid
CID 82165926
1-[2-[2-(2,4-dimethylphenoxy)ethoxy]ethyl]pyrrolidine
CID 3870944
1-[3-(3-bromo-2-methylphenoxy)propyl]piperidine
CID 163215227

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,3,5-trimethylphenoxy)propyl]piperidine?
The IUPAC name of 1-[3-(2,3,5-trimethylphenoxy)propyl]piperidine (CID 2057820) is 1-[3-(2,3,5-trimethylphenoxy)propyl]piperidine.
What is the SMILES notation for 1-[3-(2,3,5-trimethylphenoxy)propyl]piperidine?
The canonical SMILES for 1-[3-(2,3,5-trimethylphenoxy)propyl]piperidine is Cc1cc(C)c(C)c(OCCCN2CCCCC2)c1.
What is the InChIKey of 1-[3-(2,3,5-trimethylphenoxy)propyl]piperidine?
The InChIKey is FCKQWGQVPAJPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-14-12-15(2)16(3)17(13-14)19-11-7-10-18-8-5-4-6-9-18/h12-13H,4-11H2,1-3H3.
What are the key properties of 1-[3-(2,3,5-trimethylphenoxy)propyl]piperidine?
1-[3-(2,3,5-trimethylphenoxy)propyl]piperidine has a molecular weight of 261.41 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,3,5-trimethylphenoxy)propyl]piperidine is sourced from PubChem (CID 2057820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).