(3R)-3-[2-(3-tert-butylphenoxy)ethyl]piperidine

C17H27NO — CID 86321202

IUPAC(3R)-3-[2-(3-tert-butylphenoxy)ethyl]piperidine
SMILESCC(C)(C)c1cccc(OCC[C@H]2CCCNC2)c1
InChIInChI=1S/C17H27NO/c1-17(2,3)15-7-4-8-16(12-15)19-11-9-14-6-5-10-18-13-14/h4,7-8,12,14,18H,5-6,9-11,13H2,1-3H3/t14-/m1/s1
InChIKeyGSNFYKAJDSLOOH-CQSZACIVSA-N
MW261.41 g/mol
LogP3.75
Rot. Bonds4

About (3R)-3-[2-(3-tert-butylphenoxy)ethyl]piperidine

(3R)-3-[2-(3-tert-butylphenoxy)ethyl]piperidine (PubChem CID 86321202) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is (3R)-3-[2-(3-tert-butylphenoxy)ethyl]piperidine.

Molecular Properties

Compound Name(3R)-3-[2-(3-tert-butylphenoxy)ethyl]piperidine
PubChem CID86321202
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name(3R)-3-[2-(3-tert-butylphenoxy)ethyl]piperidine
SMILESCC(C)(C)c1cccc(OCC[C@H]2CCCNC2)c1
InChIInChI=1S/C17H27NO/c1-17(2,3)15-7-4-8-16(12-15)19-11-9-14-6-5-10-18-13-14/h4,7-8,12,14,18H,5-6,9-11,13H2,1-3H3/t14-/m1/s1
InChIKeyGSNFYKAJDSLOOH-CQSZACIVSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-[2-(3-ethoxyphenoxy)ethyl]piperidine
CID 86321619
4-[2-(3-tert-butylphenoxy)ethyl]piperidine;hydrochloride
CID 56830247
3-[2-(3-chlorophenoxy)ethyl]piperidine
CID 22309129
(3R)-3-[2-(3-propan-2-ylphenoxy)ethyl]piperidine
CID 86321208
(3R)-3-(2-phenoxyethyl)piperidine
CID 26192392
3-[2-[3-(methoxymethyl)phenoxy]ethyl]piperidine
CID 63986374
(3S)-3-[2-(3-methoxyphenoxy)ethyl]pyrrolidine
CID 93080822
3-[2-(4-methylphenoxy)ethyl]piperidine
CID 45075559
3-(2-piperidin-3-ylethoxy)pyridine;hydrochloride
CID 56830400
(3R)-3-[2-(4-iodophenoxy)ethyl]piperidine
CID 86321285
[3-(3-piperidin-3-ylpropoxy)phenyl] acetate
CID 67740923
3-[2-(4-chloro-3-ethylphenoxy)ethyl]piperidine;hydrochloride
CID 56829845

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[2-(3-tert-butylphenoxy)ethyl]piperidine?
The IUPAC name of (3R)-3-[2-(3-tert-butylphenoxy)ethyl]piperidine (CID 86321202) is (3R)-3-[2-(3-tert-butylphenoxy)ethyl]piperidine.
What is the SMILES notation for (3R)-3-[2-(3-tert-butylphenoxy)ethyl]piperidine?
The canonical SMILES for (3R)-3-[2-(3-tert-butylphenoxy)ethyl]piperidine is CC(C)(C)c1cccc(OCC[C@H]2CCCNC2)c1.
What is the InChIKey of (3R)-3-[2-(3-tert-butylphenoxy)ethyl]piperidine?
The InChIKey is GSNFYKAJDSLOOH-CQSZACIVSA-N. The full InChI is InChI=1S/C17H27NO/c1-17(2,3)15-7-4-8-16(12-15)19-11-9-14-6-5-10-18-13-14/h4,7-8,12,14,18H,5-6,9-11,13H2,1-3H3/t14-/m1/s1.
What are the key properties of (3R)-3-[2-(3-tert-butylphenoxy)ethyl]piperidine?
(3R)-3-[2-(3-tert-butylphenoxy)ethyl]piperidine has a molecular weight of 261.41 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[2-(3-tert-butylphenoxy)ethyl]piperidine is sourced from PubChem (CID 86321202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).