1-[2-(3-phenylphenoxy)ethyl]piperidine

C19H23NO — CID 58483782

IUPAC1-[2-(3-phenylphenoxy)ethyl]piperidine
SMILESc1ccc(-c2cccc(OCCN3CCCCC3)c2)cc1
InChIInChI=1S/C19H23NO/c1-3-8-17(9-4-1)18-10-7-11-19(16-18)21-15-14-20-12-5-2-6-13-20/h1,3-4,7-11,16H,2,5-6,12-15H2
InChIKeyKTFWIJYXMMXKLO-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.22
Rot. Bonds5

About 1-[2-(3-phenylphenoxy)ethyl]piperidine

1-[2-(3-phenylphenoxy)ethyl]piperidine (PubChem CID 58483782) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-[2-(3-phenylphenoxy)ethyl]piperidine.

Molecular Properties

Compound Name1-[2-(3-phenylphenoxy)ethyl]piperidine
PubChem CID58483782
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name1-[2-(3-phenylphenoxy)ethyl]piperidine
SMILESc1ccc(-c2cccc(OCCN3CCCCC3)c2)cc1
InChIInChI=1S/C19H23NO/c1-3-8-17(9-4-1)18-10-7-11-19(16-18)21-15-14-20-12-5-2-6-13-20/h1,3-4,7-11,16H,2,5-6,12-15H2
InChIKeyKTFWIJYXMMXKLO-UHFFFAOYSA-N
XLogP4.22
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-phenylphenoxy)ethyl]piperidine
CID 58483683
oxalic acid;1-[5-(3-phenylphenoxy)pentyl]azepane
CID 155512264
4-[3-(2-piperidin-1-ylethoxy)phenyl]-1H-pyrrole-2-carboxylic acid
CID 167844599
3-[2-(azocan-1-yl)ethoxy]benzoic acid
CID 43532593
trifluoro-[3-(2-pyrrolidin-1-ylethoxy)phenyl]boranuide
CID 63678115
1,4-bis(2-phenoxyethyl)-1,4-diazepane
CID 58861609
1-[3-(4-phenylphenoxy)propyl]piperidine
CID 56683751
1-[2-[4-[[6-(3-methoxyphenyl)naphthalen-2-yl]oxymethoxy]phenoxy]ethyl]piperidine
CID 139884839
1-[2-(3-bromophenoxy)ethyl]piperidine;oxalic acid
CID 2924023
1-[6-(4-phenylphenoxy)hexyl]piperidine
CID 155533744
1-[2-(3-ethenylphenoxy)ethyl]pyrrolidine
CID 176891275
1-[2-(3-propan-2-ylphenoxy)ethyl]pyrrolidine
CID 869541

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-phenylphenoxy)ethyl]piperidine?
The IUPAC name of 1-[2-(3-phenylphenoxy)ethyl]piperidine (CID 58483782) is 1-[2-(3-phenylphenoxy)ethyl]piperidine.
What is the SMILES notation for 1-[2-(3-phenylphenoxy)ethyl]piperidine?
The canonical SMILES for 1-[2-(3-phenylphenoxy)ethyl]piperidine is c1ccc(-c2cccc(OCCN3CCCCC3)c2)cc1.
What is the InChIKey of 1-[2-(3-phenylphenoxy)ethyl]piperidine?
The InChIKey is KTFWIJYXMMXKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-3-8-17(9-4-1)18-10-7-11-19(16-18)21-15-14-20-12-5-2-6-13-20/h1,3-4,7-11,16H,2,5-6,12-15H2.
What are the key properties of 1-[2-(3-phenylphenoxy)ethyl]piperidine?
1-[2-(3-phenylphenoxy)ethyl]piperidine has a molecular weight of 281.40 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-phenylphenoxy)ethyl]piperidine is sourced from PubChem (CID 58483782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).