(3R,4R)-1-(5-chloro-3-fluoro-2-pyridinyl)-4-(2-methoxyethyl)-3-methylpiperidin-4-ol

C14H20ClFN2O2 — CID 72852792

IUPAC(3R,4R)-1-(5-chloro-3-fluoro-2-pyridinyl)-4-(2-methoxyethyl)-3-methylpiperidin-4-ol
SMILESCOCC[C@]1(O)CCN(c2ncc(Cl)cc2F)C[C@H]1C
InChIInChI=1S/C14H20ClFN2O2/c1-10-9-18(5-3-14(10,19)4-6-20-2)13-12(16)7-11(15)8-17-13/h7-8,10,19H,3-6,9H2,1-2H3/t10-,14-/m1/s1
InChIKeyZNKRLSQUIJICCP-QMTHXVAHSA-N
MW302.78 g/mol
LogP2.49
Rot. Bonds4

About (3R,4R)-1-(5-chloro-3-fluoro-2-pyridinyl)-4-(2-methoxyethyl)-3-methylpiperidin-4-ol

(3R,4R)-1-(5-chloro-3-fluoro-2-pyridinyl)-4-(2-methoxyethyl)-3-methylpiperidin-4-ol (PubChem CID 72852792) has the molecular formula C14H20ClFN2O2 and a molecular weight of 302.78 g/mol. Its IUPAC name is (3R,4R)-1-(5-chloro-3-fluoro-2-pyridinyl)-4-(2-methoxyethyl)-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name(3R,4R)-1-(5-chloro-3-fluoro-2-pyridinyl)-4-(2-methoxyethyl)-3-methylpiperidin-4-ol
PubChem CID72852792
Molecular FormulaC14H20ClFN2O2
Molecular Weight302.78 g/mol
Exact Mass302.12
IUPAC Name(3R,4R)-1-(5-chloro-3-fluoro-2-pyridinyl)-4-(2-methoxyethyl)-3-methylpiperidin-4-ol
SMILESCOCC[C@]1(O)CCN(c2ncc(Cl)cc2F)C[C@H]1C
InChIInChI=1S/C14H20ClFN2O2/c1-10-9-18(5-3-14(10,19)4-6-20-2)13-12(16)7-11(15)8-17-13/h7-8,10,19H,3-6,9H2,1-2H3/t10-,14-/m1/s1
InChIKeyZNKRLSQUIJICCP-QMTHXVAHSA-N
XLogP2.49
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.78
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-(5-chloro-3-fluoro-2-pyridinyl)-4-(2-methoxyethyl)-3-methylpiperidin-4-ol?
The IUPAC name of (3R,4R)-1-(5-chloro-3-fluoro-2-pyridinyl)-4-(2-methoxyethyl)-3-methylpiperidin-4-ol (CID 72852792) is (3R,4R)-1-(5-chloro-3-fluoro-2-pyridinyl)-4-(2-methoxyethyl)-3-methylpiperidin-4-ol.
What is the SMILES notation for (3R,4R)-1-(5-chloro-3-fluoro-2-pyridinyl)-4-(2-methoxyethyl)-3-methylpiperidin-4-ol?
The canonical SMILES for (3R,4R)-1-(5-chloro-3-fluoro-2-pyridinyl)-4-(2-methoxyethyl)-3-methylpiperidin-4-ol is COCC[C@]1(O)CCN(c2ncc(Cl)cc2F)C[C@H]1C.
What is the InChIKey of (3R,4R)-1-(5-chloro-3-fluoro-2-pyridinyl)-4-(2-methoxyethyl)-3-methylpiperidin-4-ol?
The InChIKey is ZNKRLSQUIJICCP-QMTHXVAHSA-N. The full InChI is InChI=1S/C14H20ClFN2O2/c1-10-9-18(5-3-14(10,19)4-6-20-2)13-12(16)7-11(15)8-17-13/h7-8,10,19H,3-6,9H2,1-2H3/t10-,14-/m1/s1.
What are the key properties of (3R,4R)-1-(5-chloro-3-fluoro-2-pyridinyl)-4-(2-methoxyethyl)-3-methylpiperidin-4-ol?
(3R,4R)-1-(5-chloro-3-fluoro-2-pyridinyl)-4-(2-methoxyethyl)-3-methylpiperidin-4-ol has a molecular weight of 302.78 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-(5-chloro-3-fluoro-2-pyridinyl)-4-(2-methoxyethyl)-3-methylpiperidin-4-ol is sourced from PubChem (CID 72852792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).