(2S)-2-[2-(3-phenylphenoxy)ethyl]piperidine

C19H23NO — CID 59752871

IUPAC(2S)-2-[2-(3-phenylphenoxy)ethyl]piperidine
SMILESc1ccc(-c2cccc(OCC[C@@H]3CCCCN3)c2)cc1
InChIInChI=1S/C19H23NO/c1-2-7-16(8-3-1)17-9-6-11-19(15-17)21-14-12-18-10-4-5-13-20-18/h1-3,6-9,11,15,18,20H,4-5,10,12-14H2/t18-/m0/s1
InChIKeyRMPPCEPQZNYXCN-SFHVURJKSA-N
MW281.40 g/mol
LogP4.26
Rot. Bonds5

About (2S)-2-[2-(3-phenylphenoxy)ethyl]piperidine

(2S)-2-[2-(3-phenylphenoxy)ethyl]piperidine (PubChem CID 59752871) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is (2S)-2-[2-(3-phenylphenoxy)ethyl]piperidine.

Molecular Properties

Compound Name(2S)-2-[2-(3-phenylphenoxy)ethyl]piperidine
PubChem CID59752871
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name(2S)-2-[2-(3-phenylphenoxy)ethyl]piperidine
SMILESc1ccc(-c2cccc(OCC[C@@H]3CCCCN3)c2)cc1
InChIInChI=1S/C19H23NO/c1-2-7-16(8-3-1)17-9-6-11-19(15-17)21-14-12-18-10-4-5-13-20-18/h1-3,6-9,11,15,18,20H,4-5,10,12-14H2/t18-/m0/s1
InChIKeyRMPPCEPQZNYXCN-SFHVURJKSA-N
XLogP4.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[2-(4-phenylphenoxy)ethyl]piperidine
CID 28749943
2-[2-(3-nitrophenoxy)ethyl]piperidine;hydrochloride
CID 56830416
(2S)-2-[2-(3-ethylphenoxy)ethyl]piperidine
CID 28749803
2-[2-(3-methylphenoxy)ethyl]pyrrolidine
CID 23339440
2-[2-(2-phenylphenoxy)ethyl]piperidine
CID 43149968
2-[2-(4-benzylphenoxy)ethyl]piperidine;hydrochloride
CID 56830376
2-[2-[2-(3-methoxyphenoxy)ethoxy]ethyl]piperidine
CID 82354047
methyl 3-[2-[(2R)-piperidin-2-yl]ethoxy]benzoate
CID 86321177
3-(2-piperidin-2-ylethoxy)pyridine;hydrochloride
CID 56830402
2-[2-(3-propoxyphenyl)ethyl]piperidine
CID 62497478
2-[2-[2-(3-ethylphenoxy)ethoxy]ethyl]piperidine
CID 82354040
(2R)-2-[2-(4-ethoxyphenoxy)ethyl]piperidine
CID 28749865

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-(3-phenylphenoxy)ethyl]piperidine?
The IUPAC name of (2S)-2-[2-(3-phenylphenoxy)ethyl]piperidine (CID 59752871) is (2S)-2-[2-(3-phenylphenoxy)ethyl]piperidine.
What is the SMILES notation for (2S)-2-[2-(3-phenylphenoxy)ethyl]piperidine?
The canonical SMILES for (2S)-2-[2-(3-phenylphenoxy)ethyl]piperidine is c1ccc(-c2cccc(OCC[C@@H]3CCCCN3)c2)cc1.
What is the InChIKey of (2S)-2-[2-(3-phenylphenoxy)ethyl]piperidine?
The InChIKey is RMPPCEPQZNYXCN-SFHVURJKSA-N. The full InChI is InChI=1S/C19H23NO/c1-2-7-16(8-3-1)17-9-6-11-19(15-17)21-14-12-18-10-4-5-13-20-18/h1-3,6-9,11,15,18,20H,4-5,10,12-14H2/t18-/m0/s1.
What are the key properties of (2S)-2-[2-(3-phenylphenoxy)ethyl]piperidine?
(2S)-2-[2-(3-phenylphenoxy)ethyl]piperidine has a molecular weight of 281.40 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-(3-phenylphenoxy)ethyl]piperidine is sourced from PubChem (CID 59752871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).