(3,4-dihydroxypiperidin-2-yl)-[4-(3-propan-2-ylphenyl)piperidin-1-yl]methanone

C20H30N2O3 — CID 174517475

IUPAC(3,4-dihydroxypiperidin-2-yl)-[4-(3-propan-2-ylphenyl)piperidin-1-yl]methanone
SMILESCC(C)c1cccc(C2CCN(C(=O)C3NCCC(O)C3O)CC2)c1
InChIInChI=1S/C20H30N2O3/c1-13(2)15-4-3-5-16(12-15)14-7-10-22(11-8-14)20(25)18-19(24)17(23)6-9-21-18/h3-5,12-14,17-19,21,23-24H,6-11H2,1-2H3
InChIKeyQMXPEXULUXVXJJ-UHFFFAOYSA-N
MW346.47 g/mol
LogP1.60
Rot. Bonds3

About (3,4-dihydroxypiperidin-2-yl)-[4-(3-propan-2-ylphenyl)piperidin-1-yl]methanone

(3,4-dihydroxypiperidin-2-yl)-[4-(3-propan-2-ylphenyl)piperidin-1-yl]methanone (PubChem CID 174517475) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is (3,4-dihydroxypiperidin-2-yl)-[4-(3-propan-2-ylphenyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-dihydroxypiperidin-2-yl)-[4-(3-propan-2-ylphenyl)piperidin-1-yl]methanone
PubChem CID174517475
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name(3,4-dihydroxypiperidin-2-yl)-[4-(3-propan-2-ylphenyl)piperidin-1-yl]methanone
SMILESCC(C)c1cccc(C2CCN(C(=O)C3NCCC(O)C3O)CC2)c1
InChIInChI=1S/C20H30N2O3/c1-13(2)15-4-3-5-16(12-15)14-7-10-22(11-8-14)20(25)18-19(24)17(23)6-9-21-18/h3-5,12-14,17-19,21,23-24H,6-11H2,1-2H3
InChIKeyQMXPEXULUXVXJJ-UHFFFAOYSA-N
XLogP1.60
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3,4-dihydroxypiperidin-2-yl)-[4-(3-propan-2-ylphenyl)piperidin-1-yl]methanone?
The IUPAC name of (3,4-dihydroxypiperidin-2-yl)-[4-(3-propan-2-ylphenyl)piperidin-1-yl]methanone (CID 174517475) is (3,4-dihydroxypiperidin-2-yl)-[4-(3-propan-2-ylphenyl)piperidin-1-yl]methanone.
What is the SMILES notation for (3,4-dihydroxypiperidin-2-yl)-[4-(3-propan-2-ylphenyl)piperidin-1-yl]methanone?
The canonical SMILES for (3,4-dihydroxypiperidin-2-yl)-[4-(3-propan-2-ylphenyl)piperidin-1-yl]methanone is CC(C)c1cccc(C2CCN(C(=O)C3NCCC(O)C3O)CC2)c1.
What is the InChIKey of (3,4-dihydroxypiperidin-2-yl)-[4-(3-propan-2-ylphenyl)piperidin-1-yl]methanone?
The InChIKey is QMXPEXULUXVXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-13(2)15-4-3-5-16(12-15)14-7-10-22(11-8-14)20(25)18-19(24)17(23)6-9-21-18/h3-5,12-14,17-19,21,23-24H,6-11H2,1-2H3.
What are the key properties of (3,4-dihydroxypiperidin-2-yl)-[4-(3-propan-2-ylphenyl)piperidin-1-yl]methanone?
(3,4-dihydroxypiperidin-2-yl)-[4-(3-propan-2-ylphenyl)piperidin-1-yl]methanone has a molecular weight of 346.47 g/mol, XLogP of 1.60, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dihydroxypiperidin-2-yl)-[4-(3-propan-2-ylphenyl)piperidin-1-yl]methanone is sourced from PubChem (CID 174517475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).