4-(6-methoxy-2-pyridinyl)-2-[(3-methylpiperidin-1-yl)methyl]phenol

C19H24N2O2 — CID 135971343

IUPAC4-(6-methoxy-2-pyridinyl)-2-[(3-methylpiperidin-1-yl)methyl]phenol
SMILESCOc1cccc(-c2ccc(O)c(CN3CCCC(C)C3)c2)n1
InChIInChI=1S/C19H24N2O2/c1-14-5-4-10-21(12-14)13-16-11-15(8-9-18(16)22)17-6-3-7-19(20-17)23-2/h3,6-9,11,14,22H,4-5,10,12-13H2,1-2H3
InChIKeyYBDAZZAUYYWRTF-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.69
Rot. Bonds4

About 4-(6-methoxy-2-pyridinyl)-2-[(3-methylpiperidin-1-yl)methyl]phenol

4-(6-methoxy-2-pyridinyl)-2-[(3-methylpiperidin-1-yl)methyl]phenol (PubChem CID 135971343) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 4-(6-methoxy-2-pyridinyl)-2-[(3-methylpiperidin-1-yl)methyl]phenol.

Molecular Properties

Compound Name4-(6-methoxy-2-pyridinyl)-2-[(3-methylpiperidin-1-yl)methyl]phenol
PubChem CID135971343
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name4-(6-methoxy-2-pyridinyl)-2-[(3-methylpiperidin-1-yl)methyl]phenol
SMILESCOc1cccc(-c2ccc(O)c(CN3CCCC(C)C3)c2)n1
InChIInChI=1S/C19H24N2O2/c1-14-5-4-10-21(12-14)13-16-11-15(8-9-18(16)22)17-6-3-7-19(20-17)23-2/h3,6-9,11,14,22H,4-5,10,12-13H2,1-2H3
InChIKeyYBDAZZAUYYWRTF-UHFFFAOYSA-N
XLogP3.69
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.69
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 4-(6-methoxy-2-pyridinyl)-2-[(3-methylpiperidin-1-yl)methyl]phenol?
The IUPAC name of 4-(6-methoxy-2-pyridinyl)-2-[(3-methylpiperidin-1-yl)methyl]phenol (CID 135971343) is 4-(6-methoxy-2-pyridinyl)-2-[(3-methylpiperidin-1-yl)methyl]phenol.
What is the SMILES notation for 4-(6-methoxy-2-pyridinyl)-2-[(3-methylpiperidin-1-yl)methyl]phenol?
The canonical SMILES for 4-(6-methoxy-2-pyridinyl)-2-[(3-methylpiperidin-1-yl)methyl]phenol is COc1cccc(-c2ccc(O)c(CN3CCCC(C)C3)c2)n1.
What is the InChIKey of 4-(6-methoxy-2-pyridinyl)-2-[(3-methylpiperidin-1-yl)methyl]phenol?
The InChIKey is YBDAZZAUYYWRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-14-5-4-10-21(12-14)13-16-11-15(8-9-18(16)22)17-6-3-7-19(20-17)23-2/h3,6-9,11,14,22H,4-5,10,12-13H2,1-2H3.
What are the key properties of 4-(6-methoxy-2-pyridinyl)-2-[(3-methylpiperidin-1-yl)methyl]phenol?
4-(6-methoxy-2-pyridinyl)-2-[(3-methylpiperidin-1-yl)methyl]phenol has a molecular weight of 312.41 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methoxy-2-pyridinyl)-2-[(3-methylpiperidin-1-yl)methyl]phenol is sourced from PubChem (CID 135971343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).