2,4-dichloro-6-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]phenol

C15H22Cl2N2O — CID 82974899

IUPAC2,4-dichloro-6-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]phenol
SMILESCCN1CCC(N(C)Cc2cc(Cl)cc(Cl)c2O)CC1
InChIInChI=1S/C15H22Cl2N2O/c1-3-19-6-4-13(5-7-19)18(2)10-11-8-12(16)9-14(17)15(11)20/h8-9,13,20H,3-7,10H2,1-2H3
InChIKeyVGWMBDFMIKLDHK-UHFFFAOYSA-N
MW317.26 g/mol
LogP3.62
Rot. Bonds4

About 2,4-dichloro-6-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]phenol

2,4-dichloro-6-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]phenol (PubChem CID 82974899) has the molecular formula C15H22Cl2N2O and a molecular weight of 317.26 g/mol. Its IUPAC name is 2,4-dichloro-6-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]phenol
PubChem CID82974899
Molecular FormulaC15H22Cl2N2O
Molecular Weight317.26 g/mol
Exact Mass316.11
IUPAC Name2,4-dichloro-6-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]phenol
SMILESCCN1CCC(N(C)Cc2cc(Cl)cc(Cl)c2O)CC1
InChIInChI=1S/C15H22Cl2N2O/c1-3-19-6-4-13(5-7-19)18(2)10-11-8-12(16)9-14(17)15(11)20/h8-9,13,20H,3-7,10H2,1-2H3
InChIKeyVGWMBDFMIKLDHK-UHFFFAOYSA-N
XLogP3.62
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.26
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-dichloro-6-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]phenol?
The IUPAC name of 2,4-dichloro-6-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]phenol (CID 82974899) is 2,4-dichloro-6-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]phenol?
The canonical SMILES for 2,4-dichloro-6-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]phenol is CCN1CCC(N(C)Cc2cc(Cl)cc(Cl)c2O)CC1.
What is the InChIKey of 2,4-dichloro-6-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]phenol?
The InChIKey is VGWMBDFMIKLDHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2N2O/c1-3-19-6-4-13(5-7-19)18(2)10-11-8-12(16)9-14(17)15(11)20/h8-9,13,20H,3-7,10H2,1-2H3.
What are the key properties of 2,4-dichloro-6-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]phenol?
2,4-dichloro-6-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]phenol has a molecular weight of 317.26 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]phenol is sourced from PubChem (CID 82974899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).