2-piperidin-4-ylpropan-2-yl 2-(2,5-dihydroxyphenyl)acetate

C16H23NO4 — CID 155075664

IUPAC2-piperidin-4-ylpropan-2-yl 2-(2,5-dihydroxyphenyl)acetate
SMILESCC(C)(OC(=O)Cc1cc(O)ccc1O)C1CCNCC1
InChIInChI=1S/C16H23NO4/c1-16(2,12-5-7-17-8-6-12)21-15(20)10-11-9-13(18)3-4-14(11)19/h3-4,9,12,17-19H,5-8,10H2,1-2H3
InChIKeyHCHALBUJZQQVCF-UHFFFAOYSA-N
MW293.36 g/mol
LogP1.96
Rot. Bonds4

About 2-piperidin-4-ylpropan-2-yl 2-(2,5-dihydroxyphenyl)acetate

2-piperidin-4-ylpropan-2-yl 2-(2,5-dihydroxyphenyl)acetate (PubChem CID 155075664) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 2-piperidin-4-ylpropan-2-yl 2-(2,5-dihydroxyphenyl)acetate.

Molecular Properties

Compound Name2-piperidin-4-ylpropan-2-yl 2-(2,5-dihydroxyphenyl)acetate
PubChem CID155075664
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name2-piperidin-4-ylpropan-2-yl 2-(2,5-dihydroxyphenyl)acetate
SMILESCC(C)(OC(=O)Cc1cc(O)ccc1O)C1CCNCC1
InChIInChI=1S/C16H23NO4/c1-16(2,12-5-7-17-8-6-12)21-15(20)10-11-9-13(18)3-4-14(11)19/h3-4,9,12,17-19H,5-8,10H2,1-2H3
InChIKeyHCHALBUJZQQVCF-UHFFFAOYSA-N
XLogP1.96
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-ylpropan-2-yl 2-(2,5-dihydroxyphenyl)acetate?
The IUPAC name of 2-piperidin-4-ylpropan-2-yl 2-(2,5-dihydroxyphenyl)acetate (CID 155075664) is 2-piperidin-4-ylpropan-2-yl 2-(2,5-dihydroxyphenyl)acetate.
What is the SMILES notation for 2-piperidin-4-ylpropan-2-yl 2-(2,5-dihydroxyphenyl)acetate?
The canonical SMILES for 2-piperidin-4-ylpropan-2-yl 2-(2,5-dihydroxyphenyl)acetate is CC(C)(OC(=O)Cc1cc(O)ccc1O)C1CCNCC1.
What is the InChIKey of 2-piperidin-4-ylpropan-2-yl 2-(2,5-dihydroxyphenyl)acetate?
The InChIKey is HCHALBUJZQQVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-16(2,12-5-7-17-8-6-12)21-15(20)10-11-9-13(18)3-4-14(11)19/h3-4,9,12,17-19H,5-8,10H2,1-2H3.
What are the key properties of 2-piperidin-4-ylpropan-2-yl 2-(2,5-dihydroxyphenyl)acetate?
2-piperidin-4-ylpropan-2-yl 2-(2,5-dihydroxyphenyl)acetate has a molecular weight of 293.36 g/mol, XLogP of 1.96, 4 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-(2,5-dihydroxyphenyl)acetate is sourced from PubChem (CID 155075664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).