2,4-dichloro-6-[(2,5-dimethylpiperidin-1-yl)methyl]phenol

C14H19Cl2NO — CID 82981394

IUPAC2,4-dichloro-6-[(2,5-dimethylpiperidin-1-yl)methyl]phenol
SMILESCC1CCC(C)N(Cc2cc(Cl)cc(Cl)c2O)C1
InChIInChI=1S/C14H19Cl2NO/c1-9-3-4-10(2)17(7-9)8-11-5-12(15)6-13(16)14(11)18/h5-6,9-10,18H,3-4,7-8H2,1-2H3
InChIKeyNHFIKRLSPHJKJN-UHFFFAOYSA-N
MW288.22 g/mol
LogP4.32
Rot. Bonds2

About 2,4-dichloro-6-[(2,5-dimethylpiperidin-1-yl)methyl]phenol

2,4-dichloro-6-[(2,5-dimethylpiperidin-1-yl)methyl]phenol (PubChem CID 82981394) has the molecular formula C14H19Cl2NO and a molecular weight of 288.22 g/mol. Its IUPAC name is 2,4-dichloro-6-[(2,5-dimethylpiperidin-1-yl)methyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[(2,5-dimethylpiperidin-1-yl)methyl]phenol
PubChem CID82981394
Molecular FormulaC14H19Cl2NO
Molecular Weight288.22 g/mol
Exact Mass287.08
IUPAC Name2,4-dichloro-6-[(2,5-dimethylpiperidin-1-yl)methyl]phenol
SMILESCC1CCC(C)N(Cc2cc(Cl)cc(Cl)c2O)C1
InChIInChI=1S/C14H19Cl2NO/c1-9-3-4-10(2)17(7-9)8-11-5-12(15)6-13(16)14(11)18/h5-6,9-10,18H,3-4,7-8H2,1-2H3
InChIKeyNHFIKRLSPHJKJN-UHFFFAOYSA-N
XLogP4.32
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.22
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4-dichloro-6-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenol
CID 114597986
2,4-dichloro-6-[[(2S)-2-[(2S)-1-[(3,5-dichloro-2-hydroxyphenyl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]phenol
CID 101475533
4-bromo-2-[(2,5-dimethylpiperidin-1-yl)methyl]phenol
CID 82983101
ethyl 1-[(3,5-dichloro-2-hydroxyphenyl)methyl]piperidine-2-carboxylate
CID 2845776
2-[(4-aminopiperidin-1-yl)methyl]-4,6-dichlorophenol
CID 29009288
2-[(4-tert-butylpiperidin-1-yl)methyl]-4,6-dichlorophenol
CID 82986743
1-benzyl-2,5-dimethylpiperidine
CID 73200484
2,4-dichloro-6-[[3-(methylaminomethyl)pyrrolidin-1-yl]methyl]phenol
CID 63263503
1-[(3,5-dichloro-2-hydroxyphenyl)methyl]azetidine-3-carboxylic acid
CID 65072097
2-[[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]methyl]-4,6-dichlorophenol
CID 103887070
2-(azocan-1-ylmethyl)-4,6-dichlorophenol
CID 82977984
2,4-dichloro-6-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]phenol
CID 82961970

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[(2,5-dimethylpiperidin-1-yl)methyl]phenol?
The IUPAC name of 2,4-dichloro-6-[(2,5-dimethylpiperidin-1-yl)methyl]phenol (CID 82981394) is 2,4-dichloro-6-[(2,5-dimethylpiperidin-1-yl)methyl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[(2,5-dimethylpiperidin-1-yl)methyl]phenol?
The canonical SMILES for 2,4-dichloro-6-[(2,5-dimethylpiperidin-1-yl)methyl]phenol is CC1CCC(C)N(Cc2cc(Cl)cc(Cl)c2O)C1.
What is the InChIKey of 2,4-dichloro-6-[(2,5-dimethylpiperidin-1-yl)methyl]phenol?
The InChIKey is NHFIKRLSPHJKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO/c1-9-3-4-10(2)17(7-9)8-11-5-12(15)6-13(16)14(11)18/h5-6,9-10,18H,3-4,7-8H2,1-2H3.
What are the key properties of 2,4-dichloro-6-[(2,5-dimethylpiperidin-1-yl)methyl]phenol?
2,4-dichloro-6-[(2,5-dimethylpiperidin-1-yl)methyl]phenol has a molecular weight of 288.22 g/mol, XLogP of 4.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[(2,5-dimethylpiperidin-1-yl)methyl]phenol is sourced from PubChem (CID 82981394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).