[1-[(3-bromo-4-methoxyphenyl)methyl]piperidin-2-yl]methanol

C14H20BrNO2 — CID 6456213

IUPAC[1-[(3-bromo-4-methoxyphenyl)methyl]piperidin-2-yl]methanol
SMILESCOc1ccc(CN2CCCCC2CO)cc1Br
InChIInChI=1S/C14H20BrNO2/c1-18-14-6-5-11(8-13(14)15)9-16-7-3-2-4-12(16)10-17/h5-6,8,12,17H,2-4,7,9-10H2,1H3
InChIKeyBVSVTOYQUSMXHT-UHFFFAOYSA-N
MW314.22 g/mol
LogP2.80
Rot. Bonds4

About [1-[(3-bromo-4-methoxyphenyl)methyl]piperidin-2-yl]methanol

[1-[(3-bromo-4-methoxyphenyl)methyl]piperidin-2-yl]methanol (PubChem CID 6456213) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is [1-[(3-bromo-4-methoxyphenyl)methyl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[(3-bromo-4-methoxyphenyl)methyl]piperidin-2-yl]methanol
PubChem CID6456213
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name[1-[(3-bromo-4-methoxyphenyl)methyl]piperidin-2-yl]methanol
SMILESCOc1ccc(CN2CCCCC2CO)cc1Br
InChIInChI=1S/C14H20BrNO2/c1-18-14-6-5-11(8-13(14)15)9-16-7-3-2-4-12(16)10-17/h5-6,8,12,17H,2-4,7,9-10H2,1H3
InChIKeyBVSVTOYQUSMXHT-UHFFFAOYSA-N
XLogP2.80
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-[(3-bromo-4-methoxyphenyl)methyl]piperidin-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-Bromo-4-methoxybenzyl)azepane
CID 764598
1-(3-Bromo-4-methoxybenzyl)-4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridine
CID 2845226
3-{2-[(3-Bromo-4-methoxybenzyl)amino]-1-hydroxyethyl}phenol
CID 51051707
2-(3-Bromo-4-methoxybenzyl)-1,2,3,4-tetrahydroisoquinoline
CID 764789
4-[(3-Bromo-4-methoxyphenyl)methyl]morpholine
CID 3142363
1-[(3-Bromo-4-methoxyphenyl)carbonothioyl]piperidine
CID 976823
2-[4-[(5-Bromo-2-methoxyphenyl)methyl]piperazin-1-yl]ethanol
CID 779882
(3-Bromo-4-methoxyphenyl)-(4-methyl-1-piperazinyl)methanethione
CID 804731
1-[(3-Bromo-4-methoxyphenyl)methyl]-4-methylpiperazine
CID 765150
Cambridge id 5354134
CID 768358
1-(4-Methoxybenzyl)piperidin-4-OL
CID 10013773
3-[(2S)-4-[(4-methoxyphenyl)methyl]-1-prop-2-enylpiperazin-2-yl]propan-1-ol
CID 90666136

Frequently Asked Questions

What is the IUPAC name of [1-[(3-bromo-4-methoxyphenyl)methyl]piperidin-2-yl]methanol?
The IUPAC name of [1-[(3-bromo-4-methoxyphenyl)methyl]piperidin-2-yl]methanol (CID 6456213) is [1-[(3-bromo-4-methoxyphenyl)methyl]piperidin-2-yl]methanol.
What is the SMILES notation for [1-[(3-bromo-4-methoxyphenyl)methyl]piperidin-2-yl]methanol?
The canonical SMILES for [1-[(3-bromo-4-methoxyphenyl)methyl]piperidin-2-yl]methanol is COc1ccc(CN2CCCCC2CO)cc1Br.
What is the InChIKey of [1-[(3-bromo-4-methoxyphenyl)methyl]piperidin-2-yl]methanol?
The InChIKey is BVSVTOYQUSMXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-18-14-6-5-11(8-13(14)15)9-16-7-3-2-4-12(16)10-17/h5-6,8,12,17H,2-4,7,9-10H2,1H3.
What are the key properties of [1-[(3-bromo-4-methoxyphenyl)methyl]piperidin-2-yl]methanol?
[1-[(3-bromo-4-methoxyphenyl)methyl]piperidin-2-yl]methanol has a molecular weight of 314.22 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-bromo-4-methoxyphenyl)methyl]piperidin-2-yl]methanol is sourced from PubChem (CID 6456213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).