(2R)-2-[(4-phenoxyphenoxy)methyl]piperidine

C18H21NO2 — CID 29293603

IUPAC(2R)-2-[(4-phenoxyphenoxy)methyl]piperidine
SMILESc1ccc(Oc2ccc(OC[C@H]3CCCCN3)cc2)cc1
InChIInChI=1S/C18H21NO2/c1-2-7-17(8-3-1)21-18-11-9-16(10-12-18)20-14-15-6-4-5-13-19-15/h1-3,7-12,15,19H,4-6,13-14H2/t15-/m1/s1
InChIKeyCSJNBXMUZIPBKQ-OAHLLOKOSA-N
MW283.37 g/mol
LogP4.00
Rot. Bonds5

About (2R)-2-[(4-phenoxyphenoxy)methyl]piperidine

(2R)-2-[(4-phenoxyphenoxy)methyl]piperidine (PubChem CID 29293603) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is (2R)-2-[(4-phenoxyphenoxy)methyl]piperidine.

Molecular Properties

Compound Name(2R)-2-[(4-phenoxyphenoxy)methyl]piperidine
PubChem CID29293603
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name(2R)-2-[(4-phenoxyphenoxy)methyl]piperidine
SMILESc1ccc(Oc2ccc(OC[C@H]3CCCCN3)cc2)cc1
InChIInChI=1S/C18H21NO2/c1-2-7-17(8-3-1)21-18-11-9-16(10-12-18)20-14-15-6-4-5-13-19-15/h1-3,7-12,15,19H,4-6,13-14H2/t15-/m1/s1
InChIKeyCSJNBXMUZIPBKQ-OAHLLOKOSA-N
XLogP4.00
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-phenoxyphenoxy)methyl]piperidine?
The IUPAC name of (2R)-2-[(4-phenoxyphenoxy)methyl]piperidine (CID 29293603) is (2R)-2-[(4-phenoxyphenoxy)methyl]piperidine.
What is the SMILES notation for (2R)-2-[(4-phenoxyphenoxy)methyl]piperidine?
The canonical SMILES for (2R)-2-[(4-phenoxyphenoxy)methyl]piperidine is c1ccc(Oc2ccc(OC[C@H]3CCCCN3)cc2)cc1.
What is the InChIKey of (2R)-2-[(4-phenoxyphenoxy)methyl]piperidine?
The InChIKey is CSJNBXMUZIPBKQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H21NO2/c1-2-7-17(8-3-1)21-18-11-9-16(10-12-18)20-14-15-6-4-5-13-19-15/h1-3,7-12,15,19H,4-6,13-14H2/t15-/m1/s1.
What are the key properties of (2R)-2-[(4-phenoxyphenoxy)methyl]piperidine?
(2R)-2-[(4-phenoxyphenoxy)methyl]piperidine has a molecular weight of 283.37 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-phenoxyphenoxy)methyl]piperidine is sourced from PubChem (CID 29293603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).