(3R)-3-[(2-phenylphenoxy)methyl]piperidine

C18H21NO — CID 26190683

IUPAC(3R)-3-[(2-phenylphenoxy)methyl]piperidine
SMILESc1ccc(-c2ccccc2OC[C@@H]2CCCNC2)cc1
InChIInChI=1S/C18H21NO/c1-2-8-16(9-3-1)17-10-4-5-11-18(17)20-14-15-7-6-12-19-13-15/h1-5,8-11,15,19H,6-7,12-14H2/t15-/m1/s1
InChIKeyNRIFYSHYGKWGQJ-OAHLLOKOSA-N
MW267.37 g/mol
LogP3.73
Rot. Bonds4

About (3R)-3-[(2-phenylphenoxy)methyl]piperidine

(3R)-3-[(2-phenylphenoxy)methyl]piperidine (PubChem CID 26190683) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is (3R)-3-[(2-phenylphenoxy)methyl]piperidine.

Molecular Properties

Compound Name(3R)-3-[(2-phenylphenoxy)methyl]piperidine
PubChem CID26190683
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name(3R)-3-[(2-phenylphenoxy)methyl]piperidine
SMILESc1ccc(-c2ccccc2OC[C@@H]2CCCNC2)cc1
InChIInChI=1S/C18H21NO/c1-2-8-16(9-3-1)17-10-4-5-11-18(17)20-14-15-7-6-12-19-13-15/h1-5,8-11,15,19H,6-7,12-14H2/t15-/m1/s1
InChIKeyNRIFYSHYGKWGQJ-OAHLLOKOSA-N
XLogP3.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(piperidin-3-ylmethoxy)phenol;hydrochloride
CID 162016330
3-[(2-methylphenoxy)methyl]piperidine
CID 18524094
(3S)-3-[(4-phenylphenoxy)methyl]piperidine
CID 42427138
(3S)-3-(phenoxymethyl)piperidine
CID 26190643
3-[(2-chlorophenoxy)methyl]piperidine;hydrochloride
CID 45074918
(3R)-3-[(2-bromo-4-phenylphenoxy)methyl]piperidine
CID 86322131
difluoromethane;3-[(2-fluorophenoxy)methyl]piperidine
CID 166104221
3-[[2-(2-methylpropoxy)phenoxy]methyl]piperidine
CID 68596368
3-[(2-cyclohexyloxyphenoxy)methyl]piperidine;hydrochloride
CID 68594805
(3R)-3-[(2-propylphenoxy)methyl]piperidine
CID 86322759
3-[(4-bromo-2-phenylphenoxy)methyl]pyrrolidine;hydrochloride
CID 56829708
(2S)-2-[(2-phenylphenoxy)methyl]pyrrolidine
CID 28750068

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(2-phenylphenoxy)methyl]piperidine?
The IUPAC name of (3R)-3-[(2-phenylphenoxy)methyl]piperidine (CID 26190683) is (3R)-3-[(2-phenylphenoxy)methyl]piperidine.
What is the SMILES notation for (3R)-3-[(2-phenylphenoxy)methyl]piperidine?
The canonical SMILES for (3R)-3-[(2-phenylphenoxy)methyl]piperidine is c1ccc(-c2ccccc2OC[C@@H]2CCCNC2)cc1.
What is the InChIKey of (3R)-3-[(2-phenylphenoxy)methyl]piperidine?
The InChIKey is NRIFYSHYGKWGQJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H21NO/c1-2-8-16(9-3-1)17-10-4-5-11-18(17)20-14-15-7-6-12-19-13-15/h1-5,8-11,15,19H,6-7,12-14H2/t15-/m1/s1.
What are the key properties of (3R)-3-[(2-phenylphenoxy)methyl]piperidine?
(3R)-3-[(2-phenylphenoxy)methyl]piperidine has a molecular weight of 267.37 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(2-phenylphenoxy)methyl]piperidine is sourced from PubChem (CID 26190683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).