(1-ethylpiperidin-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate

C20H29NO3 — CID 10086

IUPAC(1-ethylpiperidin-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate
SMILESCCN1CCCC(OC(=O)C(O)(c2ccccc2)C2CCCC2)C1
InChIInChI=1S/C20H29NO3/c1-2-21-14-8-13-18(15-21)24-19(22)20(23,17-11-6-7-12-17)16-9-4-3-5-10-16/h3-5,9-10,17-18,23H,2,6-8,11-15H2,1H3
InChIKeyOAWRXBDGRIPUMA-UHFFFAOYSA-N
MW331.46 g/mol
LogP3.09
Rot. Bonds5

About (1-ethylpiperidin-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate

(1-ethylpiperidin-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate (PubChem CID 10086) has the molecular formula C20H29NO3 and a molecular weight of 331.46 g/mol. Its IUPAC name is (1-ethylpiperidin-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate.

Molecular Properties

Compound Name(1-ethylpiperidin-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate
PubChem CID10086
Molecular FormulaC20H29NO3
Molecular Weight331.46 g/mol
Exact Mass331.21
IUPAC Name(1-ethylpiperidin-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate
SMILESCCN1CCCC(OC(=O)C(O)(c2ccccc2)C2CCCC2)C1
InChIInChI=1S/C20H29NO3/c1-2-21-14-8-13-18(15-21)24-19(22)20(23,17-11-6-7-12-17)16-9-4-3-5-10-16/h3-5,9-10,17-18,23H,2,6-8,11-15H2,1H3
InChIKeyOAWRXBDGRIPUMA-UHFFFAOYSA-N
XLogP3.09
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-ethylpiperidin-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate?
The IUPAC name of (1-ethylpiperidin-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate (CID 10086) is (1-ethylpiperidin-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate.
What is the SMILES notation for (1-ethylpiperidin-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate?
The canonical SMILES for (1-ethylpiperidin-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate is CCN1CCCC(OC(=O)C(O)(c2ccccc2)C2CCCC2)C1.
What is the InChIKey of (1-ethylpiperidin-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate?
The InChIKey is OAWRXBDGRIPUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO3/c1-2-21-14-8-13-18(15-21)24-19(22)20(23,17-11-6-7-12-17)16-9-4-3-5-10-16/h3-5,9-10,17-18,23H,2,6-8,11-15H2,1H3.
What are the key properties of (1-ethylpiperidin-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate?
(1-ethylpiperidin-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate has a molecular weight of 331.46 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpiperidin-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate is sourced from PubChem (CID 10086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).