1-[1-(3-bromo-5-chloro-2-pyridinyl)piperidin-2-yl]propan-2-ol

C13H18BrClN2O — CID 112748394

IUPAC1-[1-(3-bromo-5-chloro-2-pyridinyl)piperidin-2-yl]propan-2-ol
SMILESCC(O)CC1CCCCN1c1ncc(Cl)cc1Br
InChIInChI=1S/C13H18BrClN2O/c1-9(18)6-11-4-2-3-5-17(11)13-12(14)7-10(15)8-16-13/h7-9,11,18H,2-6H2,1H3
InChIKeyRHOMSDJVBDCQEO-UHFFFAOYSA-N
MW333.66 g/mol
LogP3.63
Rot. Bonds3

About 1-[1-(3-bromo-5-chloro-2-pyridinyl)piperidin-2-yl]propan-2-ol

1-[1-(3-bromo-5-chloro-2-pyridinyl)piperidin-2-yl]propan-2-ol (PubChem CID 112748394) has the molecular formula C13H18BrClN2O and a molecular weight of 333.66 g/mol. Its IUPAC name is 1-[1-(3-bromo-5-chloro-2-pyridinyl)piperidin-2-yl]propan-2-ol.

Molecular Properties

Compound Name1-[1-(3-bromo-5-chloro-2-pyridinyl)piperidin-2-yl]propan-2-ol
PubChem CID112748394
Molecular FormulaC13H18BrClN2O
Molecular Weight333.66 g/mol
Exact Mass332.03
IUPAC Name1-[1-(3-bromo-5-chloro-2-pyridinyl)piperidin-2-yl]propan-2-ol
SMILESCC(O)CC1CCCCN1c1ncc(Cl)cc1Br
InChIInChI=1S/C13H18BrClN2O/c1-9(18)6-11-4-2-3-5-17(11)13-12(14)7-10(15)8-16-13/h7-9,11,18H,2-6H2,1H3
InChIKeyRHOMSDJVBDCQEO-UHFFFAOYSA-N
XLogP3.63
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.66
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-bromo-5-chloro-2-pyridinyl)piperidin-2-yl]propan-2-ol?
The IUPAC name of 1-[1-(3-bromo-5-chloro-2-pyridinyl)piperidin-2-yl]propan-2-ol (CID 112748394) is 1-[1-(3-bromo-5-chloro-2-pyridinyl)piperidin-2-yl]propan-2-ol.
What is the SMILES notation for 1-[1-(3-bromo-5-chloro-2-pyridinyl)piperidin-2-yl]propan-2-ol?
The canonical SMILES for 1-[1-(3-bromo-5-chloro-2-pyridinyl)piperidin-2-yl]propan-2-ol is CC(O)CC1CCCCN1c1ncc(Cl)cc1Br.
What is the InChIKey of 1-[1-(3-bromo-5-chloro-2-pyridinyl)piperidin-2-yl]propan-2-ol?
The InChIKey is RHOMSDJVBDCQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrClN2O/c1-9(18)6-11-4-2-3-5-17(11)13-12(14)7-10(15)8-16-13/h7-9,11,18H,2-6H2,1H3.
What are the key properties of 1-[1-(3-bromo-5-chloro-2-pyridinyl)piperidin-2-yl]propan-2-ol?
1-[1-(3-bromo-5-chloro-2-pyridinyl)piperidin-2-yl]propan-2-ol has a molecular weight of 333.66 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-bromo-5-chloro-2-pyridinyl)piperidin-2-yl]propan-2-ol is sourced from PubChem (CID 112748394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).