2-piperidin-4-ylpropan-2-yl 3,3-diphenylpropanoate

C23H29NO2 — CID 155075781

IUPAC2-piperidin-4-ylpropan-2-yl 3,3-diphenylpropanoate
SMILESCC(C)(OC(=O)CC(c1ccccc1)c1ccccc1)C1CCNCC1
InChIInChI=1S/C23H29NO2/c1-23(2,20-13-15-24-16-14-20)26-22(25)17-21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,20-21,24H,13-17H2,1-2H3
InChIKeyALXFTOZLOXVUGV-UHFFFAOYSA-N
MW351.49 g/mol
LogP4.53
Rot. Bonds6

About 2-piperidin-4-ylpropan-2-yl 3,3-diphenylpropanoate

2-piperidin-4-ylpropan-2-yl 3,3-diphenylpropanoate (PubChem CID 155075781) has the molecular formula C23H29NO2 and a molecular weight of 351.49 g/mol. Its IUPAC name is 2-piperidin-4-ylpropan-2-yl 3,3-diphenylpropanoate.

Molecular Properties

Compound Name2-piperidin-4-ylpropan-2-yl 3,3-diphenylpropanoate
PubChem CID155075781
Molecular FormulaC23H29NO2
Molecular Weight351.49 g/mol
Exact Mass351.22
IUPAC Name2-piperidin-4-ylpropan-2-yl 3,3-diphenylpropanoate
SMILESCC(C)(OC(=O)CC(c1ccccc1)c1ccccc1)C1CCNCC1
InChIInChI=1S/C23H29NO2/c1-23(2,20-13-15-24-16-14-20)26-22(25)17-21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,20-21,24H,13-17H2,1-2H3
InChIKeyALXFTOZLOXVUGV-UHFFFAOYSA-N
XLogP4.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-piperidin-4-ylpropan-2-yl 2-(2-bromophenyl)acetate
CID 155605208
2-piperidin-4-ylpropan-2-yl 5-phenylpentanoate
CID 155076614
2-piperidin-1-ium-4-ylpropan-2-yl 3-hydroxy-3-phenylpropanoate
CID 167315276
2-piperidin-4-ylpropan-2-yl 2-oxo-2-phenylacetate
CID 155075940
2-piperidin-4-ylpropan-2-yl 2-hydroxy-2,2-diphenylacetate
CID 155076034
2-piperidin-4-ylpropan-2-yl propanoate
CID 155605403
2-piperidin-4-ylpropan-2-yl 2-hydroxy-2-phenylpropanoate
CID 155075328
2-piperidin-4-ylpropan-2-yl 2-sulfanylacetate
CID 168757919
2-piperidin-4-ylpropan-2-yl (E)-3-phenylprop-2-enoate
CID 155075699
2-piperidin-4-ylpropan-2-yl 2-(2,5-dihydroxyphenyl)acetate
CID 155075664
2-piperidin-4-ylpropan-2-yl 3,3-difluorobutanoate
CID 157326852
2-piperidin-4-ylpropan-2-yl 2-(3-chlorophenyl)-2-hydroxyacetate
CID 155075991

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-ylpropan-2-yl 3,3-diphenylpropanoate?
The IUPAC name of 2-piperidin-4-ylpropan-2-yl 3,3-diphenylpropanoate (CID 155075781) is 2-piperidin-4-ylpropan-2-yl 3,3-diphenylpropanoate.
What is the SMILES notation for 2-piperidin-4-ylpropan-2-yl 3,3-diphenylpropanoate?
The canonical SMILES for 2-piperidin-4-ylpropan-2-yl 3,3-diphenylpropanoate is CC(C)(OC(=O)CC(c1ccccc1)c1ccccc1)C1CCNCC1.
What is the InChIKey of 2-piperidin-4-ylpropan-2-yl 3,3-diphenylpropanoate?
The InChIKey is ALXFTOZLOXVUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO2/c1-23(2,20-13-15-24-16-14-20)26-22(25)17-21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,20-21,24H,13-17H2,1-2H3.
What are the key properties of 2-piperidin-4-ylpropan-2-yl 3,3-diphenylpropanoate?
2-piperidin-4-ylpropan-2-yl 3,3-diphenylpropanoate has a molecular weight of 351.49 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-ylpropan-2-yl 3,3-diphenylpropanoate is sourced from PubChem (CID 155075781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).