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

C16H24BrNO — CID 114598012

IUPAC4-bromo-2-methyl-6-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenol
SMILESCc1cc(Br)cc(CN2CC(C)CC(C)C2C)c1O
InChIInChI=1S/C16H24BrNO/c1-10-5-11(2)13(4)18(8-10)9-14-7-15(17)6-12(3)16(14)19/h6-7,10-11,13,19H,5,8-9H2,1-4H3
InChIKeyIAKFBRMQNZAUNM-UHFFFAOYSA-N
MW326.28 g/mol
LogP4.33
Rot. Bonds2

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

4-bromo-2-methyl-6-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenol (PubChem CID 114598012) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is 4-bromo-2-methyl-6-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenol.

Molecular Properties

Compound Name4-bromo-2-methyl-6-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenol
PubChem CID114598012
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC Name4-bromo-2-methyl-6-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenol
SMILESCc1cc(Br)cc(CN2CC(C)CC(C)C2C)c1O
InChIInChI=1S/C16H24BrNO/c1-10-5-11(2)13(4)18(8-10)9-14-7-15(17)6-12(3)16(14)19/h6-7,10-11,13,19H,5,8-9H2,1-4H3
InChIKeyIAKFBRMQNZAUNM-UHFFFAOYSA-N
XLogP4.33
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 54.33
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
3-methyl-4-[(2,3,5-trimethylpiperidin-1-yl)methyl]benzoic acid
CID 114597360
4-fluoro-2-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenol
CID 103275846
4-bromo-2-[(4-ethylpiperazin-1-yl)methyl]-6-methylphenol
CID 112553312
4-bromo-2-methyl-6-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenol
CID 112553630
4-bromo-2-methyl-6-[(2,2,6-trimethylmorpholin-4-yl)methyl]phenol
CID 112553577
4-bromo-2-[(2-ethylmorpholin-4-yl)methyl]-6-methylphenol
CID 112553400
4-bromo-2-methyl-6-[(4-propylpiperazin-1-yl)methyl]phenol
CID 112553308
1-[(5-bromo-2-hydroxy-3-methylphenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 115903842
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-ylmethyl)-4-bromo-6-methylphenol
CID 115903877
4-bromo-2-methyl-6-[(4-propan-2-ylpiperazin-1-yl)methyl]phenol
CID 112553412
4-bromo-2-methyl-6-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)azetidin-1-yl]methyl]phenol
CID 154772265

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methyl-6-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenol?
The IUPAC name of 4-bromo-2-methyl-6-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenol (CID 114598012) is 4-bromo-2-methyl-6-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenol.
What is the SMILES notation for 4-bromo-2-methyl-6-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenol?
The canonical SMILES for 4-bromo-2-methyl-6-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenol is Cc1cc(Br)cc(CN2CC(C)CC(C)C2C)c1O.
What is the InChIKey of 4-bromo-2-methyl-6-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenol?
The InChIKey is IAKFBRMQNZAUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO/c1-10-5-11(2)13(4)18(8-10)9-14-7-15(17)6-12(3)16(14)19/h6-7,10-11,13,19H,5,8-9H2,1-4H3.
What are the key properties of 4-bromo-2-methyl-6-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenol?
4-bromo-2-methyl-6-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenol has a molecular weight of 326.28 g/mol, XLogP of 4.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methyl-6-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenol is sourced from PubChem (CID 114598012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).