(3R)-3-[2-(3-propan-2-ylphenoxy)ethyl]piperidine

C16H25NO — CID 86321208

IUPAC(3R)-3-[2-(3-propan-2-ylphenoxy)ethyl]piperidine
SMILESCC(C)c1cccc(OCC[C@H]2CCCNC2)c1
InChIInChI=1S/C16H25NO/c1-13(2)15-6-3-7-16(11-15)18-10-8-14-5-4-9-17-12-14/h3,6-7,11,13-14,17H,4-5,8-10,12H2,1-2H3/t14-/m1/s1
InChIKeySCDURBCOOCWAIW-CQSZACIVSA-N
MW247.38 g/mol
LogP3.58
Rot. Bonds5

About (3R)-3-[2-(3-propan-2-ylphenoxy)ethyl]piperidine

(3R)-3-[2-(3-propan-2-ylphenoxy)ethyl]piperidine (PubChem CID 86321208) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is (3R)-3-[2-(3-propan-2-ylphenoxy)ethyl]piperidine.

Molecular Properties

Compound Name(3R)-3-[2-(3-propan-2-ylphenoxy)ethyl]piperidine
PubChem CID86321208
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name(3R)-3-[2-(3-propan-2-ylphenoxy)ethyl]piperidine
SMILESCC(C)c1cccc(OCC[C@H]2CCCNC2)c1
InChIInChI=1S/C16H25NO/c1-13(2)15-6-3-7-16(11-15)18-10-8-14-5-4-9-17-12-14/h3,6-7,11,13-14,17H,4-5,8-10,12H2,1-2H3/t14-/m1/s1
InChIKeySCDURBCOOCWAIW-CQSZACIVSA-N
XLogP3.58
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 ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-[2-(3-ethoxyphenoxy)ethyl]piperidine
CID 86321619
(3R)-3-[2-(3-tert-butylphenoxy)ethyl]piperidine
CID 86321202
3-[2-(3-chlorophenoxy)ethyl]piperidine
CID 22309129
(3R)-3-(2-phenoxyethyl)piperidine
CID 26192392
(3S)-3-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]piperidine
CID 86321569
3-[2-[3-(methoxymethyl)phenoxy]ethyl]piperidine
CID 63986374
3-[2-[2,6-di(propan-2-yl)phenoxy]ethyl]piperidine
CID 62356360
3-[(3-propan-2-ylphenyl)methyl]piperidine
CID 84785652
(3S)-3-[2-(3-methoxyphenoxy)ethyl]pyrrolidine
CID 93080822
3-(3-propan-2-ylphenoxy)piperidine
CID 45075406
3-[2-(4-methylphenoxy)ethyl]piperidine
CID 45075559
3-[2-(1-phenylethoxy)ethyl]piperidine
CID 62355840

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[2-(3-propan-2-ylphenoxy)ethyl]piperidine?
The IUPAC name of (3R)-3-[2-(3-propan-2-ylphenoxy)ethyl]piperidine (CID 86321208) is (3R)-3-[2-(3-propan-2-ylphenoxy)ethyl]piperidine.
What is the SMILES notation for (3R)-3-[2-(3-propan-2-ylphenoxy)ethyl]piperidine?
The canonical SMILES for (3R)-3-[2-(3-propan-2-ylphenoxy)ethyl]piperidine is CC(C)c1cccc(OCC[C@H]2CCCNC2)c1.
What is the InChIKey of (3R)-3-[2-(3-propan-2-ylphenoxy)ethyl]piperidine?
The InChIKey is SCDURBCOOCWAIW-CQSZACIVSA-N. The full InChI is InChI=1S/C16H25NO/c1-13(2)15-6-3-7-16(11-15)18-10-8-14-5-4-9-17-12-14/h3,6-7,11,13-14,17H,4-5,8-10,12H2,1-2H3/t14-/m1/s1.
What are the key properties of (3R)-3-[2-(3-propan-2-ylphenoxy)ethyl]piperidine?
(3R)-3-[2-(3-propan-2-ylphenoxy)ethyl]piperidine has a molecular weight of 247.38 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[2-(3-propan-2-ylphenoxy)ethyl]piperidine is sourced from PubChem (CID 86321208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).