4-[2-(3-tert-butylphenoxy)ethyl]piperidine;hydrochloride

C17H28ClNO — CID 56830247

IUPAC4-[2-(3-tert-butylphenoxy)ethyl]piperidine;hydrochloride
SMILESCC(C)(C)c1cccc(OCCC2CCNCC2)c1.Cl
InChIInChI=1S/C17H27NO.ClH/c1-17(2,3)15-5-4-6-16(13-15)19-12-9-14-7-10-18-11-8-14;/h4-6,13-14,18H,7-12H2,1-3H3;1H
InChIKeyLWEOZRXKRSGRAG-UHFFFAOYSA-N
MW297.87 g/mol
LogP4.17
Rot. Bonds4

About 4-[2-(3-tert-butylphenoxy)ethyl]piperidine;hydrochloride

4-[2-(3-tert-butylphenoxy)ethyl]piperidine;hydrochloride (PubChem CID 56830247) has the molecular formula C17H28ClNO and a molecular weight of 297.87 g/mol. Its IUPAC name is 4-[2-(3-tert-butylphenoxy)ethyl]piperidine;hydrochloride.

Molecular Properties

Compound Name4-[2-(3-tert-butylphenoxy)ethyl]piperidine;hydrochloride
PubChem CID56830247
Molecular FormulaC17H28ClNO
Molecular Weight297.87 g/mol
Exact Mass297.19
IUPAC Name4-[2-(3-tert-butylphenoxy)ethyl]piperidine;hydrochloride
SMILESCC(C)(C)c1cccc(OCCC2CCNCC2)c1.Cl
InChIInChI=1S/C17H27NO.ClH/c1-17(2,3)15-5-4-6-16(13-15)19-12-9-14-7-10-18-11-8-14;/h4-6,13-14,18H,7-12H2,1-3H3;1H
InChIKeyLWEOZRXKRSGRAG-UHFFFAOYSA-N
XLogP4.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.87
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-[2-(3-tert-butylphenoxy)ethyl]piperidine
CID 86321202
4-[2-(3-methoxyphenoxy)ethyl]piperidine
CID 26192450
4-[2-(3-iodophenoxy)ethyl]piperidine
CID 105061225
4-[2-[3-(2-methylpropyl)phenoxy]ethyl]piperidine
CID 20751393
methyl 3-(2-piperidin-4-ylethoxy)benzoate;hydrochloride
CID 56830226
(3S)-3-[2-(3-methoxyphenoxy)ethyl]pyrrolidine
CID 93080822
4-[2-(2,4-ditert-butylphenoxy)ethyl]piperidine
CID 56829654
2-[2-(3-tert-butylphenoxy)ethyl]-4,5-dihydro-1H-imidazole
CID 95457735
4-(3-tert-butylphenoxy)-2-methylbutan-2-ol
CID 79359889
4-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]piperidine
CID 26192461
4-[2-(4-bromophenoxy)ethyl]piperidine
CID 56830278
4-[2-(2-ethoxyphenoxy)ethyl]piperidine;hydrochloride
CID 56830114

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-tert-butylphenoxy)ethyl]piperidine;hydrochloride?
The IUPAC name of 4-[2-(3-tert-butylphenoxy)ethyl]piperidine;hydrochloride (CID 56830247) is 4-[2-(3-tert-butylphenoxy)ethyl]piperidine;hydrochloride.
What is the SMILES notation for 4-[2-(3-tert-butylphenoxy)ethyl]piperidine;hydrochloride?
The canonical SMILES for 4-[2-(3-tert-butylphenoxy)ethyl]piperidine;hydrochloride is CC(C)(C)c1cccc(OCCC2CCNCC2)c1.Cl.
What is the InChIKey of 4-[2-(3-tert-butylphenoxy)ethyl]piperidine;hydrochloride?
The InChIKey is LWEOZRXKRSGRAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO.ClH/c1-17(2,3)15-5-4-6-16(13-15)19-12-9-14-7-10-18-11-8-14;/h4-6,13-14,18H,7-12H2,1-3H3;1H.
What are the key properties of 4-[2-(3-tert-butylphenoxy)ethyl]piperidine;hydrochloride?
4-[2-(3-tert-butylphenoxy)ethyl]piperidine;hydrochloride has a molecular weight of 297.87 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-tert-butylphenoxy)ethyl]piperidine;hydrochloride is sourced from PubChem (CID 56830247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).