2-[1-(4-bromo-3-methylphenyl)-3,3-dimethylpiperidin-4-yl]ethanol

C16H24BrNO — CID 117024708

IUPAC2-[1-(4-bromo-3-methylphenyl)-3,3-dimethylpiperidin-4-yl]ethanol
SMILESCc1cc(N2CCC(CCO)C(C)(C)C2)ccc1Br
InChIInChI=1S/C16H24BrNO/c1-12-10-14(4-5-15(12)17)18-8-6-13(7-9-19)16(2,3)11-18/h4-5,10,13,19H,6-9,11H2,1-3H3
InChIKeyRKXOHGDXOXZVDM-UHFFFAOYSA-N
MW326.28 g/mol
LogP3.99
Rot. Bonds3

About 2-[1-(4-bromo-3-methylphenyl)-3,3-dimethylpiperidin-4-yl]ethanol

2-[1-(4-bromo-3-methylphenyl)-3,3-dimethylpiperidin-4-yl]ethanol (PubChem CID 117024708) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is 2-[1-(4-bromo-3-methylphenyl)-3,3-dimethylpiperidin-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-(4-bromo-3-methylphenyl)-3,3-dimethylpiperidin-4-yl]ethanol
PubChem CID117024708
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC Name2-[1-(4-bromo-3-methylphenyl)-3,3-dimethylpiperidin-4-yl]ethanol
SMILESCc1cc(N2CCC(CCO)C(C)(C)C2)ccc1Br
InChIInChI=1S/C16H24BrNO/c1-12-10-14(4-5-15(12)17)18-8-6-13(7-9-19)16(2,3)11-18/h4-5,10,13,19H,6-9,11H2,1-3H3
InChIKeyRKXOHGDXOXZVDM-UHFFFAOYSA-N
XLogP3.99
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2-bromophenyl)-3,3-dimethylpiperidin-4-yl]ethanol
CID 117024704
2-[1-(3-methoxyphenyl)-3,3-dimethylpiperidin-4-yl]ethanol
CID 117024701
[1-(4-bromophenyl)-3,3-dimethylpiperidin-4-yl]methanol
CID 117024959
[1-(3-bromophenyl)-3,3-dimethylpiperidin-4-yl]methanol
CID 117024971
[1-(4-bromo-3-methylphenyl)-3-(dimethylamino)pyrrolidin-3-yl]methanol
CID 117012428
2-[4-(4-bromo-3-methylphenyl)-1-methyl-1,4-diazepan-2-yl]ethanol
CID 84608258
1-(4-bromo-3-methylphenyl)-N-methylpiperidin-4-amine
CID 60861630
2-[1-(4-amino-3-methylphenyl)pyrrolidin-3-yl]ethanol
CID 114796967
1-(4-bromo-3-methylphenyl)piperidin-3-ol
CID 117012803
[1-(2,6-dimethylphenyl)-3,3-dimethylpiperidin-4-yl]methanol
CID 117024942
2-[1-(3-fluorophenyl)-3,3-dimethylpiperidin-4-yl]ethanamine
CID 117024822
[1-(3-bromo-4-methylphenyl)piperidin-4-yl]methanol
CID 117027951

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-bromo-3-methylphenyl)-3,3-dimethylpiperidin-4-yl]ethanol?
The IUPAC name of 2-[1-(4-bromo-3-methylphenyl)-3,3-dimethylpiperidin-4-yl]ethanol (CID 117024708) is 2-[1-(4-bromo-3-methylphenyl)-3,3-dimethylpiperidin-4-yl]ethanol.
What is the SMILES notation for 2-[1-(4-bromo-3-methylphenyl)-3,3-dimethylpiperidin-4-yl]ethanol?
The canonical SMILES for 2-[1-(4-bromo-3-methylphenyl)-3,3-dimethylpiperidin-4-yl]ethanol is Cc1cc(N2CCC(CCO)C(C)(C)C2)ccc1Br.
What is the InChIKey of 2-[1-(4-bromo-3-methylphenyl)-3,3-dimethylpiperidin-4-yl]ethanol?
The InChIKey is RKXOHGDXOXZVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO/c1-12-10-14(4-5-15(12)17)18-8-6-13(7-9-19)16(2,3)11-18/h4-5,10,13,19H,6-9,11H2,1-3H3.
What are the key properties of 2-[1-(4-bromo-3-methylphenyl)-3,3-dimethylpiperidin-4-yl]ethanol?
2-[1-(4-bromo-3-methylphenyl)-3,3-dimethylpiperidin-4-yl]ethanol has a molecular weight of 326.28 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-bromo-3-methylphenyl)-3,3-dimethylpiperidin-4-yl]ethanol is sourced from PubChem (CID 117024708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).