2-[(4-benzylpiperidin-1-yl)methyl]-4-(6-methoxy-2-pyridinyl)phenol

C25H28N2O2 — CID 135971358

IUPAC2-[(4-benzylpiperidin-1-yl)methyl]-4-(6-methoxy-2-pyridinyl)phenol
SMILESCOc1cccc(-c2ccc(O)c(CN3CCC(Cc4ccccc4)CC3)c2)n1
InChIInChI=1S/C25H28N2O2/c1-29-25-9-5-8-23(26-25)21-10-11-24(28)22(17-21)18-27-14-12-20(13-15-27)16-19-6-3-2-4-7-19/h2-11,17,20,28H,12-16,18H2,1H3
InChIKeyRHVHYQZJWGADRA-UHFFFAOYSA-N
MW388.51 g/mol
LogP4.92
Rot. Bonds6

About 2-[(4-benzylpiperidin-1-yl)methyl]-4-(6-methoxy-2-pyridinyl)phenol

2-[(4-benzylpiperidin-1-yl)methyl]-4-(6-methoxy-2-pyridinyl)phenol (PubChem CID 135971358) has the molecular formula C25H28N2O2 and a molecular weight of 388.51 g/mol. Its IUPAC name is 2-[(4-benzylpiperidin-1-yl)methyl]-4-(6-methoxy-2-pyridinyl)phenol.

Molecular Properties

Compound Name2-[(4-benzylpiperidin-1-yl)methyl]-4-(6-methoxy-2-pyridinyl)phenol
PubChem CID135971358
Molecular FormulaC25H28N2O2
Molecular Weight388.51 g/mol
Exact Mass388.22
IUPAC Name2-[(4-benzylpiperidin-1-yl)methyl]-4-(6-methoxy-2-pyridinyl)phenol
SMILESCOc1cccc(-c2ccc(O)c(CN3CCC(Cc4ccccc4)CC3)c2)n1
InChIInChI=1S/C25H28N2O2/c1-29-25-9-5-8-23(26-25)21-10-11-24(28)22(17-21)18-27-14-12-20(13-15-27)16-19-6-3-2-4-7-19/h2-11,17,20,28H,12-16,18H2,1H3
InChIKeyRHVHYQZJWGADRA-UHFFFAOYSA-N
XLogP4.92
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-benzylpiperidin-1-yl)methyl]-4-(6-methoxy-2-pyridinyl)phenol?
The IUPAC name of 2-[(4-benzylpiperidin-1-yl)methyl]-4-(6-methoxy-2-pyridinyl)phenol (CID 135971358) is 2-[(4-benzylpiperidin-1-yl)methyl]-4-(6-methoxy-2-pyridinyl)phenol.
What is the SMILES notation for 2-[(4-benzylpiperidin-1-yl)methyl]-4-(6-methoxy-2-pyridinyl)phenol?
The canonical SMILES for 2-[(4-benzylpiperidin-1-yl)methyl]-4-(6-methoxy-2-pyridinyl)phenol is COc1cccc(-c2ccc(O)c(CN3CCC(Cc4ccccc4)CC3)c2)n1.
What is the InChIKey of 2-[(4-benzylpiperidin-1-yl)methyl]-4-(6-methoxy-2-pyridinyl)phenol?
The InChIKey is RHVHYQZJWGADRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O2/c1-29-25-9-5-8-23(26-25)21-10-11-24(28)22(17-21)18-27-14-12-20(13-15-27)16-19-6-3-2-4-7-19/h2-11,17,20,28H,12-16,18H2,1H3.
What are the key properties of 2-[(4-benzylpiperidin-1-yl)methyl]-4-(6-methoxy-2-pyridinyl)phenol?
2-[(4-benzylpiperidin-1-yl)methyl]-4-(6-methoxy-2-pyridinyl)phenol has a molecular weight of 388.51 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-benzylpiperidin-1-yl)methyl]-4-(6-methoxy-2-pyridinyl)phenol is sourced from PubChem (CID 135971358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).