1-[2-[3,5-di(propan-2-yl)phenoxy]ethyl]piperidine

C19H31NO — CID 90706793

IUPAC1-[2-[3,5-di(propan-2-yl)phenoxy]ethyl]piperidine
SMILESCC(C)c1cc(OCCN2CCCCC2)cc(C(C)C)c1
InChIInChI=1S/C19H31NO/c1-15(2)17-12-18(16(3)4)14-19(13-17)21-11-10-20-8-6-5-7-9-20/h12-16H,5-11H2,1-4H3
InChIKeyONEAZPPAFJXLAA-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.80
Rot. Bonds6

About 1-[2-[3,5-di(propan-2-yl)phenoxy]ethyl]piperidine

1-[2-[3,5-di(propan-2-yl)phenoxy]ethyl]piperidine (PubChem CID 90706793) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 1-[2-[3,5-di(propan-2-yl)phenoxy]ethyl]piperidine.

Molecular Properties

Compound Name1-[2-[3,5-di(propan-2-yl)phenoxy]ethyl]piperidine
PubChem CID90706793
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name1-[2-[3,5-di(propan-2-yl)phenoxy]ethyl]piperidine
SMILESCC(C)c1cc(OCCN2CCCCC2)cc(C(C)C)c1
InChIInChI=1S/C19H31NO/c1-15(2)17-12-18(16(3)4)14-19(13-17)21-11-10-20-8-6-5-7-9-20/h12-16H,5-11H2,1-4H3
InChIKeyONEAZPPAFJXLAA-UHFFFAOYSA-N
XLogP4.80
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[2-[3,5-di(propan-2-yl)phenoxy]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-methyl-5-propan-2-ylphenoxy)ethyl]piperidine
CID 803139
1-[2-(3-propan-2-ylphenoxy)ethyl]pyrrolidine
CID 869541
1-[2-[2-(3-methyl-5-propan-2-ylphenoxy)ethoxy]ethyl]piperidine;oxalic acid
CID 2922247
CID 161147503
CID 161147503
(1R)-1-[3-(2-pyrrolidin-1-ylethoxy)phenyl]ethanol
CID 78934419
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
1-[2-(3,4-dimethylphenoxy)ethyl]azepane
CID 82086608
1-[2-(4-propoxyphenoxy)ethyl]piperidine;hydrochloride
CID 3030633
(1S)-1-[2-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]ethanamine
CID 107719023
3-ethoxy-5-(2-pyrrolidin-1-ylethoxy)aniline
CID 80748537

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3,5-di(propan-2-yl)phenoxy]ethyl]piperidine?
The IUPAC name of 1-[2-[3,5-di(propan-2-yl)phenoxy]ethyl]piperidine (CID 90706793) is 1-[2-[3,5-di(propan-2-yl)phenoxy]ethyl]piperidine.
What is the SMILES notation for 1-[2-[3,5-di(propan-2-yl)phenoxy]ethyl]piperidine?
The canonical SMILES for 1-[2-[3,5-di(propan-2-yl)phenoxy]ethyl]piperidine is CC(C)c1cc(OCCN2CCCCC2)cc(C(C)C)c1.
What is the InChIKey of 1-[2-[3,5-di(propan-2-yl)phenoxy]ethyl]piperidine?
The InChIKey is ONEAZPPAFJXLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-15(2)17-12-18(16(3)4)14-19(13-17)21-11-10-20-8-6-5-7-9-20/h12-16H,5-11H2,1-4H3.
What are the key properties of 1-[2-[3,5-di(propan-2-yl)phenoxy]ethyl]piperidine?
1-[2-[3,5-di(propan-2-yl)phenoxy]ethyl]piperidine has a molecular weight of 289.46 g/mol, XLogP of 4.80, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3,5-di(propan-2-yl)phenoxy]ethyl]piperidine is sourced from PubChem (CID 90706793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).