1-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]piperidine

C18H29NO — CID 70865812

IUPAC1-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]piperidine
SMILESCCC(C)(C)c1ccc(OCCN2CCCCC2)cc1
InChIInChI=1S/C18H29NO/c1-4-18(2,3)16-8-10-17(11-9-16)20-15-14-19-12-6-5-7-13-19/h8-11H,4-7,12-15H2,1-3H3
InChIKeyRMCHENRNULFZIB-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.24
Rot. Bonds6

About 1-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]piperidine

1-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]piperidine (PubChem CID 70865812) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]piperidine.

Molecular Properties

Compound Name1-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]piperidine
PubChem CID70865812
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name1-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]piperidine
SMILESCCC(C)(C)c1ccc(OCCN2CCCCC2)cc1
InChIInChI=1S/C18H29NO/c1-4-18(2,3)16-8-10-17(11-9-16)20-15-14-19-12-6-5-7-13-19/h8-11H,4-7,12-15H2,1-3H3
InChIKeyRMCHENRNULFZIB-UHFFFAOYSA-N
XLogP4.24
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[4-(2-methylbutan-2-yl)phenoxy]butyl]piperidine;oxalic acid
CID 2922263
1-[2-(4-propoxyphenoxy)ethyl]piperidine;hydrochloride
CID 3030633
1-[2-(4-ethoxyphenoxy)ethyl]pyrrolidine
CID 803619
1-[2-(4-ethylphenoxy)ethyl]piperidine
CID 867198
1-[2-(4-methoxyphenoxy)ethyl]azepane
CID 888209
1-[6-(4-tert-butylphenoxy)hexyl]pyrrolidine
CID 2232435
ethane;4-(2-piperidin-1-ylethoxy)benzoic acid
CID 142014809
(3R)-3-(4-butoxyphenyl)-1-piperidin-1-ylpentan-3-ol
CID 7183676
1-[2-(4-propylphenoxy)ethyl]pyrrolidine
CID 54244276
[4-[2-(azepan-1-yl)ethoxy]phenyl]methanol;hydrochloride
CID 78358370
potassium trifluoro-[4-(2-piperidin-1-ylethoxy)phenyl]boranuide
CID 63677681
N-ethyl-N-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]ethanamine
CID 46890555

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]piperidine?
The IUPAC name of 1-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]piperidine (CID 70865812) is 1-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]piperidine.
What is the SMILES notation for 1-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]piperidine?
The canonical SMILES for 1-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]piperidine is CCC(C)(C)c1ccc(OCCN2CCCCC2)cc1.
What is the InChIKey of 1-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]piperidine?
The InChIKey is RMCHENRNULFZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-4-18(2,3)16-8-10-17(11-9-16)20-15-14-19-12-6-5-7-13-19/h8-11H,4-7,12-15H2,1-3H3.
What are the key properties of 1-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]piperidine?
1-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]piperidine has a molecular weight of 275.44 g/mol, XLogP of 4.24, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]piperidine is sourced from PubChem (CID 70865812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).