[1-(3-bromo-5-chloro-2-pyridinyl)-4-methylpiperidin-4-yl]methanol

C12H16BrClN2O — CID 100693917

IUPAC[1-(3-bromo-5-chloro-2-pyridinyl)-4-methylpiperidin-4-yl]methanol
SMILESCC1(CO)CCN(c2ncc(Cl)cc2Br)CC1
InChIInChI=1S/C12H16BrClN2O/c1-12(8-17)2-4-16(5-3-12)11-10(13)6-9(14)7-15-11/h6-7,17H,2-5,8H2,1H3
InChIKeyOUFNGDHNZJAJHE-UHFFFAOYSA-N
MW319.63 g/mol
LogP3.10
Rot. Bonds2

About [1-(3-bromo-5-chloro-2-pyridinyl)-4-methylpiperidin-4-yl]methanol

[1-(3-bromo-5-chloro-2-pyridinyl)-4-methylpiperidin-4-yl]methanol (PubChem CID 100693917) has the molecular formula C12H16BrClN2O and a molecular weight of 319.63 g/mol. Its IUPAC name is [1-(3-bromo-5-chloro-2-pyridinyl)-4-methylpiperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-(3-bromo-5-chloro-2-pyridinyl)-4-methylpiperidin-4-yl]methanol
PubChem CID100693917
Molecular FormulaC12H16BrClN2O
Molecular Weight319.63 g/mol
Exact Mass318.01
IUPAC Name[1-(3-bromo-5-chloro-2-pyridinyl)-4-methylpiperidin-4-yl]methanol
SMILESCC1(CO)CCN(c2ncc(Cl)cc2Br)CC1
InChIInChI=1S/C12H16BrClN2O/c1-12(8-17)2-4-16(5-3-12)11-10(13)6-9(14)7-15-11/h6-7,17H,2-5,8H2,1H3
InChIKeyOUFNGDHNZJAJHE-UHFFFAOYSA-N
XLogP3.10
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.63
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-5-chloro-2-pyridinyl)-4-methylazepan-4-ol
CID 107407312
1-[1-(3-bromo-5-chloro-2-pyridinyl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine
CID 106321819
1-(3-bromo-5-chloro-2-pyridinyl)-3-methylpyrrolidine-3-carboxylic acid
CID 122052316
3-bromo-5-chloro-2-(3,3-dimethylpiperidin-1-yl)pyridine
CID 114837131
1-(3-bromo-5-chloro-2-pyridinyl)-4-propan-2-ylpiperazine
CID 114836752
1-(3-bromo-5-chloro-2-pyridinyl)-4-(4-chlorophenyl)piperazine
CID 114836681
4-(3-bromo-5-chloro-2-pyridinyl)piperazine-2,6-dione
CID 114837207
N-[[1-(3-bromo-5-chloro-2-pyridinyl)piperidin-4-yl]methyl]-2-methylpropan-1-amine
CID 114838293
1-(3-bromo-5-chloro-2-pyridinyl)-N,N-dimethylpiperidine-4-carboxamide
CID 171690791
2-[1-(3-bromo-5-chloro-2-pyridinyl)piperidin-4-yl]ethanamine
CID 114836313
1-(5-chloro-3-fluoro-2-pyridinyl)-3-methylpyrrolidin-3-ol
CID 103738622
1-(3-bromo-5-chloro-2-pyridinyl)-4-propan-2-ylazepane
CID 114837143

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromo-5-chloro-2-pyridinyl)-4-methylpiperidin-4-yl]methanol?
The IUPAC name of [1-(3-bromo-5-chloro-2-pyridinyl)-4-methylpiperidin-4-yl]methanol (CID 100693917) is [1-(3-bromo-5-chloro-2-pyridinyl)-4-methylpiperidin-4-yl]methanol.
What is the SMILES notation for [1-(3-bromo-5-chloro-2-pyridinyl)-4-methylpiperidin-4-yl]methanol?
The canonical SMILES for [1-(3-bromo-5-chloro-2-pyridinyl)-4-methylpiperidin-4-yl]methanol is CC1(CO)CCN(c2ncc(Cl)cc2Br)CC1.
What is the InChIKey of [1-(3-bromo-5-chloro-2-pyridinyl)-4-methylpiperidin-4-yl]methanol?
The InChIKey is OUFNGDHNZJAJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrClN2O/c1-12(8-17)2-4-16(5-3-12)11-10(13)6-9(14)7-15-11/h6-7,17H,2-5,8H2,1H3.
What are the key properties of [1-(3-bromo-5-chloro-2-pyridinyl)-4-methylpiperidin-4-yl]methanol?
[1-(3-bromo-5-chloro-2-pyridinyl)-4-methylpiperidin-4-yl]methanol has a molecular weight of 319.63 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromo-5-chloro-2-pyridinyl)-4-methylpiperidin-4-yl]methanol is sourced from PubChem (CID 100693917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).