[4-bromo-2-(3-methoxypiperidin-1-yl)phenyl]methanol

C13H18BrNO2 — CID 102960035

IUPAC[4-bromo-2-(3-methoxypiperidin-1-yl)phenyl]methanol
SMILESCOC1CCCN(c2cc(Br)ccc2CO)C1
InChIInChI=1S/C13H18BrNO2/c1-17-12-3-2-6-15(8-12)13-7-11(14)5-4-10(13)9-16/h4-5,7,12,16H,2-3,6,8-9H2,1H3
InChIKeyYYGCKQHMSWHABC-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.56
Rot. Bonds3

About [4-bromo-2-(3-methoxypiperidin-1-yl)phenyl]methanol

[4-bromo-2-(3-methoxypiperidin-1-yl)phenyl]methanol (PubChem CID 102960035) has the molecular formula C13H18BrNO2 and a molecular weight of 300.20 g/mol. Its IUPAC name is [4-bromo-2-(3-methoxypiperidin-1-yl)phenyl]methanol.

Molecular Properties

Compound Name[4-bromo-2-(3-methoxypiperidin-1-yl)phenyl]methanol
PubChem CID102960035
Molecular FormulaC13H18BrNO2
Molecular Weight300.20 g/mol
Exact Mass299.05
IUPAC Name[4-bromo-2-(3-methoxypiperidin-1-yl)phenyl]methanol
SMILESCOC1CCCN(c2cc(Br)ccc2CO)C1
InChIInChI=1S/C13H18BrNO2/c1-17-12-3-2-6-15(8-12)13-7-11(14)5-4-10(13)9-16/h4-5,7,12,16H,2-3,6,8-9H2,1H3
InChIKeyYYGCKQHMSWHABC-UHFFFAOYSA-N
XLogP2.56
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-bromo-2-(chloromethyl)phenyl]-3-methoxypiperidine
CID 102965866
N-[[4-bromo-2-(3-methoxypyrrolidin-1-yl)phenyl]methyl]cyclopropanamine
CID 103535831
[2-chloro-4-(3-methoxypiperidin-1-yl)phenyl]methanol
CID 114064308
[4-bromo-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)phenyl]methanol
CID 81199227
[1-[4-bromo-2-(hydroxymethyl)phenyl]piperidin-3-yl]methanol
CID 114061366
1-[5-bromo-2-(hydroxymethyl)phenyl]piperidin-4-ol
CID 43365039
1-[2-(bromomethyl)phenyl]-3-methoxypiperidine
CID 107085484
[5-bromo-2-(3-ethylpiperidin-1-yl)phenyl]methanol
CID 114061365
[4-bromo-2-(4-piperidin-1-ylpiperidin-1-yl)phenyl]methanol
CID 61242440
1-[2-(bromomethyl)-5-chlorophenyl]-3-methoxypyrrolidine
CID 107085598
2-[4-bromo-2-(4-methoxypiperidin-1-yl)phenyl]ethanamine
CID 63782212
4-bromo-2-(3-propoxypiperidin-1-yl)aniline
CID 65343390

Frequently Asked Questions

What is the IUPAC name of [4-bromo-2-(3-methoxypiperidin-1-yl)phenyl]methanol?
The IUPAC name of [4-bromo-2-(3-methoxypiperidin-1-yl)phenyl]methanol (CID 102960035) is [4-bromo-2-(3-methoxypiperidin-1-yl)phenyl]methanol.
What is the SMILES notation for [4-bromo-2-(3-methoxypiperidin-1-yl)phenyl]methanol?
The canonical SMILES for [4-bromo-2-(3-methoxypiperidin-1-yl)phenyl]methanol is COC1CCCN(c2cc(Br)ccc2CO)C1.
What is the InChIKey of [4-bromo-2-(3-methoxypiperidin-1-yl)phenyl]methanol?
The InChIKey is YYGCKQHMSWHABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2/c1-17-12-3-2-6-15(8-12)13-7-11(14)5-4-10(13)9-16/h4-5,7,12,16H,2-3,6,8-9H2,1H3.
What are the key properties of [4-bromo-2-(3-methoxypiperidin-1-yl)phenyl]methanol?
[4-bromo-2-(3-methoxypiperidin-1-yl)phenyl]methanol has a molecular weight of 300.20 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-2-(3-methoxypiperidin-1-yl)phenyl]methanol is sourced from PubChem (CID 102960035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).