(3-chlorophenyl)-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone

C17H23ClN2O3 — CID 42240215

IUPAC(3-chlorophenyl)-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone
SMILESO=C(c1cccc(Cl)c1)N1CC[C@@H](N2CCC(O)CC2)[C@H](O)C1
InChIInChI=1S/C17H23ClN2O3/c18-13-3-1-2-12(10-13)17(23)20-9-6-15(16(22)11-20)19-7-4-14(21)5-8-19/h1-3,10,14-16,21-22H,4-9,11H2/t15-,16-/m1/s1
InChIKeyQAGKZGILRNGTFT-HZPDHXFCSA-N
MW338.83 g/mol
LogP1.37
Rot. Bonds2

About (3-chlorophenyl)-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone

(3-chlorophenyl)-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone (PubChem CID 42240215) has the molecular formula C17H23ClN2O3 and a molecular weight of 338.83 g/mol. Its IUPAC name is (3-chlorophenyl)-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone
PubChem CID42240215
Molecular FormulaC17H23ClN2O3
Molecular Weight338.83 g/mol
Exact Mass338.14
IUPAC Name(3-chlorophenyl)-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone
SMILESO=C(c1cccc(Cl)c1)N1CC[C@@H](N2CCC(O)CC2)[C@H](O)C1
InChIInChI=1S/C17H23ClN2O3/c18-13-3-1-2-12(10-13)17(23)20-9-6-15(16(22)11-20)19-7-4-14(21)5-8-19/h1-3,10,14-16,21-22H,4-9,11H2/t15-,16-/m1/s1
InChIKeyQAGKZGILRNGTFT-HZPDHXFCSA-N
XLogP1.37
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.83
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone?
The IUPAC name of (3-chlorophenyl)-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone (CID 42240215) is (3-chlorophenyl)-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-chlorophenyl)-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone?
The canonical SMILES for (3-chlorophenyl)-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone is O=C(c1cccc(Cl)c1)N1CC[C@@H](N2CCC(O)CC2)[C@H](O)C1.
What is the InChIKey of (3-chlorophenyl)-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone?
The InChIKey is QAGKZGILRNGTFT-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H23ClN2O3/c18-13-3-1-2-12(10-13)17(23)20-9-6-15(16(22)11-20)19-7-4-14(21)5-8-19/h1-3,10,14-16,21-22H,4-9,11H2/t15-,16-/m1/s1.
What are the key properties of (3-chlorophenyl)-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone?
(3-chlorophenyl)-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone has a molecular weight of 338.83 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 42240215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).