4-[(2-bromo-5-methoxyphenyl)methyl]-1-ethylpiperidin-4-ol

C15H22BrNO2 — CID 65327796

IUPAC4-[(2-bromo-5-methoxyphenyl)methyl]-1-ethylpiperidin-4-ol
SMILESCCN1CCC(O)(Cc2cc(OC)ccc2Br)CC1
InChIInChI=1S/C15H22BrNO2/c1-3-17-8-6-15(18,7-9-17)11-12-10-13(19-2)4-5-14(12)16/h4-5,10,18H,3,6-9,11H2,1-2H3
InChIKeyWZQDDCWILMWQJH-UHFFFAOYSA-N
MW328.25 g/mol
LogP2.85
Rot. Bonds4

About 4-[(2-bromo-5-methoxyphenyl)methyl]-1-ethylpiperidin-4-ol

4-[(2-bromo-5-methoxyphenyl)methyl]-1-ethylpiperidin-4-ol (PubChem CID 65327796) has the molecular formula C15H22BrNO2 and a molecular weight of 328.25 g/mol. Its IUPAC name is 4-[(2-bromo-5-methoxyphenyl)methyl]-1-ethylpiperidin-4-ol.

Molecular Properties

Compound Name4-[(2-bromo-5-methoxyphenyl)methyl]-1-ethylpiperidin-4-ol
PubChem CID65327796
Molecular FormulaC15H22BrNO2
Molecular Weight328.25 g/mol
Exact Mass327.08
IUPAC Name4-[(2-bromo-5-methoxyphenyl)methyl]-1-ethylpiperidin-4-ol
SMILESCCN1CCC(O)(Cc2cc(OC)ccc2Br)CC1
InChIInChI=1S/C15H22BrNO2/c1-3-17-8-6-15(18,7-9-17)11-12-10-13(19-2)4-5-14(12)16/h4-5,10,18H,3,6-9,11H2,1-2H3
InChIKeyWZQDDCWILMWQJH-UHFFFAOYSA-N
XLogP2.85
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-bromo-5-methoxyphenyl)methyl]-1-methylpyrrolidin-3-ol
CID 65327604
4-[(2-bromo-5-methoxyphenyl)methyl]-1-propan-2-ylazepan-4-ol
CID 65328049
4-[(2-bromophenyl)methyl]-1-ethylazepan-4-ol
CID 65077702
3-amino-1-[(2-bromo-5-methoxyphenyl)methyl]cyclopentan-1-ol
CID 80561589
1-ethyl-4-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-ol
CID 62161513
3-[(2-bromo-5-methoxyphenyl)methyl]-1,5-dimethylpyrrolidin-3-ol
CID 81467434
1-ethyl-4-[(2-methoxyphenyl)methyl]azepan-4-ol
CID 65077660
4-[(2-bromo-5-fluorophenyl)methyl]-1-propylazepan-4-ol
CID 65153990
4-(2,4-dimethoxyphenyl)-1-ethylpiperidin-4-ol
CID 62801450
1-[(2-bromo-5-methoxyphenyl)methyl]-N,4-dimethylpiperidin-4-amine
CID 115305379
N-[[1-[(2-bromo-5-methoxyphenyl)methyl]cyclopropyl]methyl]propan-2-amine
CID 66026670
1-[(2-bromo-5-methoxyphenyl)methyl]-3-methylpyrrolidine-3-carboxylic acid
CID 65323230

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromo-5-methoxyphenyl)methyl]-1-ethylpiperidin-4-ol?
The IUPAC name of 4-[(2-bromo-5-methoxyphenyl)methyl]-1-ethylpiperidin-4-ol (CID 65327796) is 4-[(2-bromo-5-methoxyphenyl)methyl]-1-ethylpiperidin-4-ol.
What is the SMILES notation for 4-[(2-bromo-5-methoxyphenyl)methyl]-1-ethylpiperidin-4-ol?
The canonical SMILES for 4-[(2-bromo-5-methoxyphenyl)methyl]-1-ethylpiperidin-4-ol is CCN1CCC(O)(Cc2cc(OC)ccc2Br)CC1.
What is the InChIKey of 4-[(2-bromo-5-methoxyphenyl)methyl]-1-ethylpiperidin-4-ol?
The InChIKey is WZQDDCWILMWQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO2/c1-3-17-8-6-15(18,7-9-17)11-12-10-13(19-2)4-5-14(12)16/h4-5,10,18H,3,6-9,11H2,1-2H3.
What are the key properties of 4-[(2-bromo-5-methoxyphenyl)methyl]-1-ethylpiperidin-4-ol?
4-[(2-bromo-5-methoxyphenyl)methyl]-1-ethylpiperidin-4-ol has a molecular weight of 328.25 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromo-5-methoxyphenyl)methyl]-1-ethylpiperidin-4-ol is sourced from PubChem (CID 65327796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).