[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

Analyze [1-(3-bromo-5-chloro-2-pyridinyl)-4-methylpiperidin-4-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

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).