2-piperidin-4-ylpropan-2-yl 2,5-dihydroxybenzoate

C15H21NO4 — CID 155075349

IUPAC2-piperidin-4-ylpropan-2-yl 2,5-dihydroxybenzoate
SMILESCC(C)(OC(=O)c1cc(O)ccc1O)C1CCNCC1
InChIInChI=1S/C15H21NO4/c1-15(2,10-5-7-16-8-6-10)20-14(19)12-9-11(17)3-4-13(12)18/h3-4,9-10,16-18H,5-8H2,1-2H3
InChIKeyUAQIKPPSMPAEGB-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.03
Rot. Bonds3

About 2-piperidin-4-ylpropan-2-yl 2,5-dihydroxybenzoate

2-piperidin-4-ylpropan-2-yl 2,5-dihydroxybenzoate (PubChem CID 155075349) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-piperidin-4-ylpropan-2-yl 2,5-dihydroxybenzoate.

Molecular Properties

Compound Name2-piperidin-4-ylpropan-2-yl 2,5-dihydroxybenzoate
PubChem CID155075349
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name2-piperidin-4-ylpropan-2-yl 2,5-dihydroxybenzoate
SMILESCC(C)(OC(=O)c1cc(O)ccc1O)C1CCNCC1
InChIInChI=1S/C15H21NO4/c1-15(2,10-5-7-16-8-6-10)20-14(19)12-9-11(17)3-4-13(12)18/h3-4,9-10,16-18H,5-8H2,1-2H3
InChIKeyUAQIKPPSMPAEGB-UHFFFAOYSA-N
XLogP2.03
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-piperidin-4-ylpropan-2-yl 2-(2,5-dihydroxyphenyl)acetate
CID 155075664
2-piperidin-4-ylpropan-2-yl 6-hydroxynaphthalene-2-carboxylate
CID 155075746
1-O-[2-[1-[4-[2-[3-hydroxy-5-(2-piperidin-4-ylpropan-2-yloxycarbonyl)benzoyl]oxypropan-2-yl]piperidin-1-yl]piperidin-4-yl]propan-2-yl] 2-O-(2-piperidin-4-ylpropan-2-yl) 4-hydroxybenzene-1,2-dicarboxylate
CID 170254980
bis(2-piperidin-4-ylpropan-2-yl) 4-bromobenzene-1,3-dicarboxylate
CID 155605322
2-piperidin-4-ylpropan-2-yl 2-bromo-5-iodobenzoate
CID 154609291
2-piperidin-4-ylpropan-2-yl 2-(dimethylamino)benzoate
CID 155075976
2-piperidin-4-ylpropan-2-yl 4-iodo-2-methoxybenzoate
CID 154609279
bis(2-piperidin-4-ylpropan-2-yl) 5-bromobenzene-1,3-dicarboxylate
CID 155605297
2-piperidin-4-ylpropan-2-yl 3-chloro-2-methylbenzoate
CID 155075997
2-piperidin-4-ylpropan-2-yl 6-methoxynaphthalene-2-carboxylate
CID 155075561
2-piperidin-4-ylpropan-2-yl 4-bromobenzoate
CID 155605413
2-piperidin-4-ylpropan-2-yl 3,4-dichlorobenzoate
CID 155075487

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-ylpropan-2-yl 2,5-dihydroxybenzoate?
The IUPAC name of 2-piperidin-4-ylpropan-2-yl 2,5-dihydroxybenzoate (CID 155075349) is 2-piperidin-4-ylpropan-2-yl 2,5-dihydroxybenzoate.
What is the SMILES notation for 2-piperidin-4-ylpropan-2-yl 2,5-dihydroxybenzoate?
The canonical SMILES for 2-piperidin-4-ylpropan-2-yl 2,5-dihydroxybenzoate is CC(C)(OC(=O)c1cc(O)ccc1O)C1CCNCC1.
What is the InChIKey of 2-piperidin-4-ylpropan-2-yl 2,5-dihydroxybenzoate?
The InChIKey is UAQIKPPSMPAEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-15(2,10-5-7-16-8-6-10)20-14(19)12-9-11(17)3-4-13(12)18/h3-4,9-10,16-18H,5-8H2,1-2H3.
What are the key properties of 2-piperidin-4-ylpropan-2-yl 2,5-dihydroxybenzoate?
2-piperidin-4-ylpropan-2-yl 2,5-dihydroxybenzoate has a molecular weight of 279.34 g/mol, XLogP of 2.03, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-ylpropan-2-yl 2,5-dihydroxybenzoate is sourced from PubChem (CID 155075349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).