(3R)-3-(2-phenoxyethyl)piperidine

C13H19NO — CID 26192392

IUPAC(3R)-3-(2-phenoxyethyl)piperidine
SMILESc1ccc(OCC[C@H]2CCCNC2)cc1
InChIInChI=1S/C13H19NO/c1-2-6-13(7-3-1)15-10-8-12-5-4-9-14-11-12/h1-3,6-7,12,14H,4-5,8-11H2/t12-/m1/s1
InChIKeyCRLFSQXWWCULSO-GFCCVEGCSA-N
MW205.30 g/mol
LogP2.46
Rot. Bonds4

About (3R)-3-(2-phenoxyethyl)piperidine

(3R)-3-(2-phenoxyethyl)piperidine (PubChem CID 26192392) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is (3R)-3-(2-phenoxyethyl)piperidine.

Molecular Properties

Compound Name(3R)-3-(2-phenoxyethyl)piperidine
PubChem CID26192392
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name(3R)-3-(2-phenoxyethyl)piperidine
SMILESc1ccc(OCC[C@H]2CCCNC2)cc1
InChIInChI=1S/C13H19NO/c1-2-6-13(7-3-1)15-10-8-12-5-4-9-14-11-12/h1-3,6-7,12,14H,4-5,8-11H2/t12-/m1/s1
InChIKeyCRLFSQXWWCULSO-GFCCVEGCSA-N
XLogP2.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-[2-(4-iodophenoxy)ethyl]piperidine
CID 86321285
3-[2-(4-methylphenoxy)ethyl]piperidine
CID 45075559
(3S)-3-(phenoxymethyl)piperidine
CID 26190643
3-[2-(3-chlorophenoxy)ethyl]piperidine
CID 22309129
(3R)-3-[2-(3-ethoxyphenoxy)ethyl]piperidine
CID 86321619
3-(2-piperidin-3-ylethoxy)pyridine;hydrochloride
CID 56830400
(3R)-3-[2-(3-tert-butylphenoxy)ethyl]piperidine
CID 86321202
(3R)-3-[2-(3-propan-2-ylphenoxy)ethyl]piperidine
CID 86321208
(3R)-3-[2-(2-ethoxyphenoxy)ethyl]piperidine
CID 86321016
(3S)-3-[2-(2-bromophenoxy)ethyl]piperidine
CID 86320896
2-[2-[(3R)-piperidin-3-yl]ethoxy]pyridine
CID 94409716
(3R)-3-[2-(2-bromophenoxy)ethyl]piperidine
CID 86320898

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-phenoxyethyl)piperidine?
The IUPAC name of (3R)-3-(2-phenoxyethyl)piperidine (CID 26192392) is (3R)-3-(2-phenoxyethyl)piperidine.
What is the SMILES notation for (3R)-3-(2-phenoxyethyl)piperidine?
The canonical SMILES for (3R)-3-(2-phenoxyethyl)piperidine is c1ccc(OCC[C@H]2CCCNC2)cc1.
What is the InChIKey of (3R)-3-(2-phenoxyethyl)piperidine?
The InChIKey is CRLFSQXWWCULSO-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H19NO/c1-2-6-13(7-3-1)15-10-8-12-5-4-9-14-11-12/h1-3,6-7,12,14H,4-5,8-11H2/t12-/m1/s1.
What are the key properties of (3R)-3-(2-phenoxyethyl)piperidine?
(3R)-3-(2-phenoxyethyl)piperidine has a molecular weight of 205.30 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2-phenoxyethyl)piperidine is sourced from PubChem (CID 26192392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).