2-[2-(2-propan-2-ylphenoxy)ethyl]piperidine

C16H25NO — CID 43149996

IUPAC2-[2-(2-propan-2-ylphenoxy)ethyl]piperidine
SMILESCC(C)c1ccccc1OCCC1CCCCN1
InChIInChI=1S/C16H25NO/c1-13(2)15-8-3-4-9-16(15)18-12-10-14-7-5-6-11-17-14/h3-4,8-9,13-14,17H,5-7,10-12H2,1-2H3
InChIKeyXMXJNPCUAKKFHV-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.72
Rot. Bonds5

About 2-[2-(2-propan-2-ylphenoxy)ethyl]piperidine

2-[2-(2-propan-2-ylphenoxy)ethyl]piperidine (PubChem CID 43149996) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-[2-(2-propan-2-ylphenoxy)ethyl]piperidine.

Molecular Properties

Compound Name2-[2-(2-propan-2-ylphenoxy)ethyl]piperidine
PubChem CID43149996
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-[2-(2-propan-2-ylphenoxy)ethyl]piperidine
SMILESCC(C)c1ccccc1OCCC1CCCCN1
InChIInChI=1S/C16H25NO/c1-13(2)15-8-3-4-9-16(15)18-12-10-14-7-5-6-11-17-14/h3-4,8-9,13-14,17H,5-7,10-12H2,1-2H3
InChIKeyXMXJNPCUAKKFHV-UHFFFAOYSA-N
XLogP3.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-[2-(2-propan-2-ylphenoxy)ethoxy]ethyl]piperidine
CID 82354053
(2S)-2-[(2-propan-2-ylphenoxy)methyl]pyrrolidine
CID 28750009
2-[2-(2-phenylphenoxy)ethyl]piperidine
CID 43149968
2-[2-(2,3-dimethoxyphenoxy)ethyl]piperidine
CID 112500840
N-[2-(2-propan-2-ylphenoxy)ethyl]-2-pyrrolidin-2-ylacetamide
CID 119784417
(2R)-2-[2-(4-ethoxyphenoxy)ethyl]piperidine
CID 28749865
ethyl 2-[2-[(2R)-piperidin-2-yl]ethoxy]benzoate
CID 86320486
2-[2-[2-(trifluoromethyl)phenoxy]ethyl]pyrrolidine
CID 23339323
(2S)-2-[2-(2,5-dimethylphenoxy)ethyl]piperidine
CID 28749787
4-[2-(2-piperidin-2-ylethoxy)phenyl]sulfanylbenzene-1,2-diamine
CID 54164808
2-[(2-propoxyphenyl)methyl]piperidine
CID 104662380
(2S)-2-[2-(4-phenylphenoxy)ethyl]piperidine
CID 28749943

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-propan-2-ylphenoxy)ethyl]piperidine?
The IUPAC name of 2-[2-(2-propan-2-ylphenoxy)ethyl]piperidine (CID 43149996) is 2-[2-(2-propan-2-ylphenoxy)ethyl]piperidine.
What is the SMILES notation for 2-[2-(2-propan-2-ylphenoxy)ethyl]piperidine?
The canonical SMILES for 2-[2-(2-propan-2-ylphenoxy)ethyl]piperidine is CC(C)c1ccccc1OCCC1CCCCN1.
What is the InChIKey of 2-[2-(2-propan-2-ylphenoxy)ethyl]piperidine?
The InChIKey is XMXJNPCUAKKFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-13(2)15-8-3-4-9-16(15)18-12-10-14-7-5-6-11-17-14/h3-4,8-9,13-14,17H,5-7,10-12H2,1-2H3.
What are the key properties of 2-[2-(2-propan-2-ylphenoxy)ethyl]piperidine?
2-[2-(2-propan-2-ylphenoxy)ethyl]piperidine has a molecular weight of 247.38 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-propan-2-ylphenoxy)ethyl]piperidine is sourced from PubChem (CID 43149996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).