1-[2-(3-methyl-5-propan-2-ylphenoxy)ethyl]piperidine

C17H27NO — CID 803139

IUPAC1-[2-(3-methyl-5-propan-2-ylphenoxy)ethyl]piperidine
SMILESCc1cc(OCCN2CCCCC2)cc(C(C)C)c1
InChIInChI=1S/C17H27NO/c1-14(2)16-11-15(3)12-17(13-16)19-10-9-18-7-5-4-6-8-18/h11-14H,4-10H2,1-3H3
InChIKeyKRJGOUVYCJXEMG-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.98
Rot. Bonds5

About 1-[2-(3-methyl-5-propan-2-ylphenoxy)ethyl]piperidine

1-[2-(3-methyl-5-propan-2-ylphenoxy)ethyl]piperidine (PubChem CID 803139) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-[2-(3-methyl-5-propan-2-ylphenoxy)ethyl]piperidine.

Molecular Properties

Compound Name1-[2-(3-methyl-5-propan-2-ylphenoxy)ethyl]piperidine
PubChem CID803139
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-[2-(3-methyl-5-propan-2-ylphenoxy)ethyl]piperidine
SMILESCc1cc(OCCN2CCCCC2)cc(C(C)C)c1
InChIInChI=1S/C17H27NO/c1-14(2)16-11-15(3)12-17(13-16)19-10-9-18-7-5-4-6-8-18/h11-14H,4-10H2,1-3H3
InChIKeyKRJGOUVYCJXEMG-UHFFFAOYSA-N
XLogP3.98
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 ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[2-(3-methyl-5-propan-2-ylphenoxy)ethyl]piperidine 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-[2-[3,5-di(propan-2-yl)phenoxy]ethyl]piperidine
CID 90706793
1-[2-[2-(3-methyl-5-propan-2-ylphenoxy)ethoxy]ethyl]piperidine;oxalic acid
CID 2922247
1-[2-(3-propan-2-ylphenoxy)ethyl]pyrrolidine
CID 869541
(3S)-3-methyl-1-[2-[2-(3-methyl-5-propan-2-ylphenoxy)ethoxy]ethyl]piperidine
CID 2181514
CID 161147503
CID 161147503
(2S,6R)-2,6-dimethyl-4-[4-(3-methyl-5-propan-2-ylphenoxy)butyl]morpholine
CID 2181705
(1R)-1-[3-(2-pyrrolidin-1-ylethoxy)phenyl]ethanol
CID 78934419
1-[2-(3,4-dimethylphenoxy)ethyl]azepane
CID 82086608
1-[2-[3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl]pyrrolidine
CID 75537247
1-methyl-4-[2-(3-propan-2-ylphenoxy)ethyl]piperazine
CID 59135331
N-methyl-1-[3-(2-pyrrolidin-1-ylethoxy)phenyl]ethanamine
CID 60883623
1-[2-(4-methoxyphenoxy)ethyl]azepane
CID 888209

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methyl-5-propan-2-ylphenoxy)ethyl]piperidine?
The IUPAC name of 1-[2-(3-methyl-5-propan-2-ylphenoxy)ethyl]piperidine (CID 803139) is 1-[2-(3-methyl-5-propan-2-ylphenoxy)ethyl]piperidine.
What is the SMILES notation for 1-[2-(3-methyl-5-propan-2-ylphenoxy)ethyl]piperidine?
The canonical SMILES for 1-[2-(3-methyl-5-propan-2-ylphenoxy)ethyl]piperidine is Cc1cc(OCCN2CCCCC2)cc(C(C)C)c1.
What is the InChIKey of 1-[2-(3-methyl-5-propan-2-ylphenoxy)ethyl]piperidine?
The InChIKey is KRJGOUVYCJXEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-14(2)16-11-15(3)12-17(13-16)19-10-9-18-7-5-4-6-8-18/h11-14H,4-10H2,1-3H3.
What are the key properties of 1-[2-(3-methyl-5-propan-2-ylphenoxy)ethyl]piperidine?
1-[2-(3-methyl-5-propan-2-ylphenoxy)ethyl]piperidine has a molecular weight of 261.41 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methyl-5-propan-2-ylphenoxy)ethyl]piperidine is sourced from PubChem (CID 803139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).