2-[[(3R,4S)-3-benzylpiperidin-4-yl]oxymethyl]pyridine

C18H22N2O — CID 125192101

IUPAC2-[[(3R,4S)-3-benzylpiperidin-4-yl]oxymethyl]pyridine
SMILESc1ccc(C[C@@H]2CNCC[C@@H]2OCc2ccccn2)cc1
InChIInChI=1S/C18H22N2O/c1-2-6-15(7-3-1)12-16-13-19-11-9-18(16)21-14-17-8-4-5-10-20-17/h1-8,10,16,18-19H,9,11-14H2/t16-,18+/m1/s1
InChIKeyYVWHIWUIRNWGCL-AEFFLSMTSA-N
MW282.39 g/mol
LogP2.82
Rot. Bonds5

About 2-[[(3R,4S)-3-benzylpiperidin-4-yl]oxymethyl]pyridine

2-[[(3R,4S)-3-benzylpiperidin-4-yl]oxymethyl]pyridine (PubChem CID 125192101) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-[[(3R,4S)-3-benzylpiperidin-4-yl]oxymethyl]pyridine.

Molecular Properties

Compound Name2-[[(3R,4S)-3-benzylpiperidin-4-yl]oxymethyl]pyridine
PubChem CID125192101
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name2-[[(3R,4S)-3-benzylpiperidin-4-yl]oxymethyl]pyridine
SMILESc1ccc(C[C@@H]2CNCC[C@@H]2OCc2ccccn2)cc1
InChIInChI=1S/C18H22N2O/c1-2-6-15(7-3-1)12-16-13-19-11-9-18(16)21-14-17-8-4-5-10-20-17/h1-8,10,16,18-19H,9,11-14H2/t16-,18+/m1/s1
InChIKeyYVWHIWUIRNWGCL-AEFFLSMTSA-N
XLogP2.82
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[(3R,4S)-3-benzylpiperidin-4-yl]oxymethyl]pyridine?
The IUPAC name of 2-[[(3R,4S)-3-benzylpiperidin-4-yl]oxymethyl]pyridine (CID 125192101) is 2-[[(3R,4S)-3-benzylpiperidin-4-yl]oxymethyl]pyridine.
What is the SMILES notation for 2-[[(3R,4S)-3-benzylpiperidin-4-yl]oxymethyl]pyridine?
The canonical SMILES for 2-[[(3R,4S)-3-benzylpiperidin-4-yl]oxymethyl]pyridine is c1ccc(C[C@@H]2CNCC[C@@H]2OCc2ccccn2)cc1.
What is the InChIKey of 2-[[(3R,4S)-3-benzylpiperidin-4-yl]oxymethyl]pyridine?
The InChIKey is YVWHIWUIRNWGCL-AEFFLSMTSA-N. The full InChI is InChI=1S/C18H22N2O/c1-2-6-15(7-3-1)12-16-13-19-11-9-18(16)21-14-17-8-4-5-10-20-17/h1-8,10,16,18-19H,9,11-14H2/t16-,18+/m1/s1.
What are the key properties of 2-[[(3R,4S)-3-benzylpiperidin-4-yl]oxymethyl]pyridine?
2-[[(3R,4S)-3-benzylpiperidin-4-yl]oxymethyl]pyridine has a molecular weight of 282.39 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R,4S)-3-benzylpiperidin-4-yl]oxymethyl]pyridine is sourced from PubChem (CID 125192101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).