2-piperidin-4-ylpropan-2-yl 2-hydroxy-2-phenylpropanoate

C17H25NO3 — CID 155075328

IUPAC2-piperidin-4-ylpropan-2-yl 2-hydroxy-2-phenylpropanoate
SMILESCC(O)(C(=O)OC(C)(C)C1CCNCC1)c1ccccc1
InChIInChI=1S/C17H25NO3/c1-16(2,13-9-11-18-12-10-13)21-15(19)17(3,20)14-7-5-4-6-8-14/h4-8,13,18,20H,9-12H2,1-3H3
InChIKeyNWOGMVFLRCPGBT-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.22
Rot. Bonds4

About 2-piperidin-4-ylpropan-2-yl 2-hydroxy-2-phenylpropanoate

2-piperidin-4-ylpropan-2-yl 2-hydroxy-2-phenylpropanoate (PubChem CID 155075328) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-piperidin-4-ylpropan-2-yl 2-hydroxy-2-phenylpropanoate.

Molecular Properties

Compound Name2-piperidin-4-ylpropan-2-yl 2-hydroxy-2-phenylpropanoate
PubChem CID155075328
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name2-piperidin-4-ylpropan-2-yl 2-hydroxy-2-phenylpropanoate
SMILESCC(O)(C(=O)OC(C)(C)C1CCNCC1)c1ccccc1
InChIInChI=1S/C17H25NO3/c1-16(2,13-9-11-18-12-10-13)21-15(19)17(3,20)14-7-5-4-6-8-14/h4-8,13,18,20H,9-12H2,1-3H3
InChIKeyNWOGMVFLRCPGBT-UHFFFAOYSA-N
XLogP2.22
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-piperidin-4-ylpropan-2-yl 2-hydroxy-2,2-diphenylacetate
CID 155076034
2-piperidin-4-ylpropan-2-yl 2-oxo-2-phenylacetate
CID 155075940
2-piperidin-4-ylpropan-2-yl 2,2,2-tribromoacetate
CID 155605248
1-phenyl-1-piperidin-4-ylethanol
CID 54545036
2-piperidin-4-ylpropan-2-yl (E)-3-phenylprop-2-enoate
CID 155075699
2-piperidin-4-ylpropan-2-yl 3,3-diphenylpropanoate
CID 155075781
2-piperidin-4-ylpropan-2-yl 2-(2-bromophenyl)acetate
CID 155605208
2-piperidin-1-ium-4-ylpropan-2-yl 2-methyl-2-phenylpropanoate
CID 167315286
2-piperidin-4-ylpropan-2-yl 5-phenylpentanoate
CID 155076614
tetrakis(2-piperidin-4-ylpropan-2-yl) cyclobutane-1,2,3,4-tetracarboxylate
CID 155075585
1-piperidin-4-ylethyl 2-hydroxy-2,2-diphenylacetate
CID 67195129
2-piperidin-4-ylpropan-2-yl 2-(dimethylamino)benzoate
CID 155075976

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-ylpropan-2-yl 2-hydroxy-2-phenylpropanoate?
The IUPAC name of 2-piperidin-4-ylpropan-2-yl 2-hydroxy-2-phenylpropanoate (CID 155075328) is 2-piperidin-4-ylpropan-2-yl 2-hydroxy-2-phenylpropanoate.
What is the SMILES notation for 2-piperidin-4-ylpropan-2-yl 2-hydroxy-2-phenylpropanoate?
The canonical SMILES for 2-piperidin-4-ylpropan-2-yl 2-hydroxy-2-phenylpropanoate is CC(O)(C(=O)OC(C)(C)C1CCNCC1)c1ccccc1.
What is the InChIKey of 2-piperidin-4-ylpropan-2-yl 2-hydroxy-2-phenylpropanoate?
The InChIKey is NWOGMVFLRCPGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-16(2,13-9-11-18-12-10-13)21-15(19)17(3,20)14-7-5-4-6-8-14/h4-8,13,18,20H,9-12H2,1-3H3.
What are the key properties of 2-piperidin-4-ylpropan-2-yl 2-hydroxy-2-phenylpropanoate?
2-piperidin-4-ylpropan-2-yl 2-hydroxy-2-phenylpropanoate has a molecular weight of 291.39 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-ylpropan-2-yl 2-hydroxy-2-phenylpropanoate is sourced from PubChem (CID 155075328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).