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

C19H23NO — CID 46888101

IUPAC(2R)-2-[(4-benzylphenoxy)methyl]piperidine
SMILESc1ccc(Cc2ccc(OC[C@H]3CCCCN3)cc2)cc1
InChIInChI=1S/C19H23NO/c1-2-6-16(7-3-1)14-17-9-11-19(12-10-17)21-15-18-8-4-5-13-20-18/h1-3,6-7,9-12,18,20H,4-5,8,13-15H2/t18-/m1/s1
InChIKeyYZRAMLLKPOGYCE-GOSISDBHSA-N
MW281.40 g/mol
LogP3.80
Rot. Bonds5

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

(2R)-2-[(4-benzylphenoxy)methyl]piperidine (PubChem CID 46888101) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is (2R)-2-[(4-benzylphenoxy)methyl]piperidine.

Molecular Properties

Compound Name(2R)-2-[(4-benzylphenoxy)methyl]piperidine
PubChem CID46888101
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name(2R)-2-[(4-benzylphenoxy)methyl]piperidine
SMILESc1ccc(Cc2ccc(OC[C@H]3CCCCN3)cc2)cc1
InChIInChI=1S/C19H23NO/c1-2-6-16(7-3-1)14-17-9-11-19(12-10-17)21-15-18-8-4-5-13-20-18/h1-3,6-7,9-12,18,20H,4-5,8,13-15H2/t18-/m1/s1
InChIKeyYZRAMLLKPOGYCE-GOSISDBHSA-N
XLogP3.80
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 ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-benzylphenoxy)methyl]piperidine?
The IUPAC name of (2R)-2-[(4-benzylphenoxy)methyl]piperidine (CID 46888101) is (2R)-2-[(4-benzylphenoxy)methyl]piperidine.
What is the SMILES notation for (2R)-2-[(4-benzylphenoxy)methyl]piperidine?
The canonical SMILES for (2R)-2-[(4-benzylphenoxy)methyl]piperidine is c1ccc(Cc2ccc(OC[C@H]3CCCCN3)cc2)cc1.
What is the InChIKey of (2R)-2-[(4-benzylphenoxy)methyl]piperidine?
The InChIKey is YZRAMLLKPOGYCE-GOSISDBHSA-N. The full InChI is InChI=1S/C19H23NO/c1-2-6-16(7-3-1)14-17-9-11-19(12-10-17)21-15-18-8-4-5-13-20-18/h1-3,6-7,9-12,18,20H,4-5,8,13-15H2/t18-/m1/s1.
What are the key properties of (2R)-2-[(4-benzylphenoxy)methyl]piperidine?
(2R)-2-[(4-benzylphenoxy)methyl]piperidine has a molecular weight of 281.40 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-benzylphenoxy)methyl]piperidine is sourced from PubChem (CID 46888101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).