2,4-dichloro-6-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenol

C15H21Cl2NO — CID 114597986

IUPAC2,4-dichloro-6-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenol
SMILESCC1CC(C)C(C)N(Cc2cc(Cl)cc(Cl)c2O)C1
InChIInChI=1S/C15H21Cl2NO/c1-9-4-10(2)11(3)18(7-9)8-12-5-13(16)6-14(17)15(12)19/h5-6,9-11,19H,4,7-8H2,1-3H3
InChIKeyORYUMUUGWXGDQF-UHFFFAOYSA-N
MW302.25 g/mol
LogP4.57
Rot. Bonds2

About 2,4-dichloro-6-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenol

2,4-dichloro-6-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenol (PubChem CID 114597986) has the molecular formula C15H21Cl2NO and a molecular weight of 302.25 g/mol. Its IUPAC name is 2,4-dichloro-6-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenol
PubChem CID114597986
Molecular FormulaC15H21Cl2NO
Molecular Weight302.25 g/mol
Exact Mass301.10
IUPAC Name2,4-dichloro-6-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenol
SMILESCC1CC(C)C(C)N(Cc2cc(Cl)cc(Cl)c2O)C1
InChIInChI=1S/C15H21Cl2NO/c1-9-4-10(2)11(3)18(7-9)8-12-5-13(16)6-14(17)15(12)19/h5-6,9-11,19H,4,7-8H2,1-3H3
InChIKeyORYUMUUGWXGDQF-UHFFFAOYSA-N
XLogP4.57
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.25
LogP ≤ 54.57
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-[(2,5-dimethylpiperidin-1-yl)methyl]phenol
CID 82981394
4-bromo-2-methyl-6-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenol
CID 114598012
4-fluoro-2-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenol
CID 103275846
2,4-dichloro-6-[[(2S)-2-[(2S)-1-[(3,5-dichloro-2-hydroxyphenyl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]phenol
CID 101475533
1-(2,4-dichlorophenyl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanone
CID 114594194
3-methyl-4-[(2,3,5-trimethylpiperidin-1-yl)methyl]benzoic acid
CID 114597360
1-[(3,5-dichloro-2-hydroxyphenyl)methyl]azetidine-3-carboxylic acid
CID 65072097
2-(azocan-1-ylmethyl)-4,6-dichlorophenol
CID 82977984
2-[1-[(3,5-dichloro-2-hydroxyphenyl)methyl]azetidin-3-yl]acetic acid
CID 65069785
2-[(4-tert-butylpiperidin-1-yl)methyl]-4,6-dichlorophenol
CID 82986743
2-[(4-aminopiperidin-1-yl)methyl]-4,6-dichlorophenol
CID 29009288
2,4-dichloro-6-[[3-(methylaminomethyl)pyrrolidin-1-yl]methyl]phenol
CID 63263503

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenol?
The IUPAC name of 2,4-dichloro-6-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenol (CID 114597986) is 2,4-dichloro-6-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenol?
The canonical SMILES for 2,4-dichloro-6-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenol is CC1CC(C)C(C)N(Cc2cc(Cl)cc(Cl)c2O)C1.
What is the InChIKey of 2,4-dichloro-6-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenol?
The InChIKey is ORYUMUUGWXGDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2NO/c1-9-4-10(2)11(3)18(7-9)8-12-5-13(16)6-14(17)15(12)19/h5-6,9-11,19H,4,7-8H2,1-3H3.
What are the key properties of 2,4-dichloro-6-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenol?
2,4-dichloro-6-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenol has a molecular weight of 302.25 g/mol, XLogP of 4.57, 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-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenol is sourced from PubChem (CID 114597986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).