(3R,4R)-1-(3-chloro-2-pyridinyl)-4-(hydroxymethyl)piperidin-3-ol

C11H15ClN2O2 — CID 56886087

IUPAC(3R,4R)-1-(3-chloro-2-pyridinyl)-4-(hydroxymethyl)piperidin-3-ol
SMILESOC[C@H]1CCN(c2ncccc2Cl)C[C@@H]1O
InChIInChI=1S/C11H15ClN2O2/c12-9-2-1-4-13-11(9)14-5-3-8(7-15)10(16)6-14/h1-2,4,8,10,15-16H,3,5-7H2/t8-,10+/m1/s1
InChIKeyINPOBEZOVMKYPO-SCZZXKLOSA-N
MW242.71 g/mol
LogP0.91
Rot. Bonds2

About (3R,4R)-1-(3-chloro-2-pyridinyl)-4-(hydroxymethyl)piperidin-3-ol

(3R,4R)-1-(3-chloro-2-pyridinyl)-4-(hydroxymethyl)piperidin-3-ol (PubChem CID 56886087) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is (3R,4R)-1-(3-chloro-2-pyridinyl)-4-(hydroxymethyl)piperidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-1-(3-chloro-2-pyridinyl)-4-(hydroxymethyl)piperidin-3-ol
PubChem CID56886087
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name(3R,4R)-1-(3-chloro-2-pyridinyl)-4-(hydroxymethyl)piperidin-3-ol
SMILESOC[C@H]1CCN(c2ncccc2Cl)C[C@@H]1O
InChIInChI=1S/C11H15ClN2O2/c12-9-2-1-4-13-11(9)14-5-3-8(7-15)10(16)6-14/h1-2,4,8,10,15-16H,3,5-7H2/t8-,10+/m1/s1
InChIKeyINPOBEZOVMKYPO-SCZZXKLOSA-N
XLogP0.91
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-(3-chloro-2-pyridinyl)-4-(hydroxymethyl)piperidin-3-ol?
The IUPAC name of (3R,4R)-1-(3-chloro-2-pyridinyl)-4-(hydroxymethyl)piperidin-3-ol (CID 56886087) is (3R,4R)-1-(3-chloro-2-pyridinyl)-4-(hydroxymethyl)piperidin-3-ol.
What is the SMILES notation for (3R,4R)-1-(3-chloro-2-pyridinyl)-4-(hydroxymethyl)piperidin-3-ol?
The canonical SMILES for (3R,4R)-1-(3-chloro-2-pyridinyl)-4-(hydroxymethyl)piperidin-3-ol is OC[C@H]1CCN(c2ncccc2Cl)C[C@@H]1O.
What is the InChIKey of (3R,4R)-1-(3-chloro-2-pyridinyl)-4-(hydroxymethyl)piperidin-3-ol?
The InChIKey is INPOBEZOVMKYPO-SCZZXKLOSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c12-9-2-1-4-13-11(9)14-5-3-8(7-15)10(16)6-14/h1-2,4,8,10,15-16H,3,5-7H2/t8-,10+/m1/s1.
What are the key properties of (3R,4R)-1-(3-chloro-2-pyridinyl)-4-(hydroxymethyl)piperidin-3-ol?
(3R,4R)-1-(3-chloro-2-pyridinyl)-4-(hydroxymethyl)piperidin-3-ol has a molecular weight of 242.71 g/mol, XLogP of 0.91, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-(3-chloro-2-pyridinyl)-4-(hydroxymethyl)piperidin-3-ol is sourced from PubChem (CID 56886087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).