2-piperidin-4-ylpropan-2-yl 5-phenylpentanoate

C19H29NO2 — CID 155076614

IUPAC2-piperidin-4-ylpropan-2-yl 5-phenylpentanoate
SMILESCC(C)(OC(=O)CCCCc1ccccc1)C1CCNCC1
InChIInChI=1S/C19H29NO2/c1-19(2,17-12-14-20-15-13-17)22-18(21)11-7-6-10-16-8-4-3-5-9-16/h3-5,8-9,17,20H,6-7,10-15H2,1-2H3
InChIKeyMYFKCPCSWPIFJT-UHFFFAOYSA-N
MW303.45 g/mol
LogP3.72
Rot. Bonds7

About 2-piperidin-4-ylpropan-2-yl 5-phenylpentanoate

2-piperidin-4-ylpropan-2-yl 5-phenylpentanoate (PubChem CID 155076614) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is 2-piperidin-4-ylpropan-2-yl 5-phenylpentanoate.

Molecular Properties

Compound Name2-piperidin-4-ylpropan-2-yl 5-phenylpentanoate
PubChem CID155076614
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC Name2-piperidin-4-ylpropan-2-yl 5-phenylpentanoate
SMILESCC(C)(OC(=O)CCCCc1ccccc1)C1CCNCC1
InChIInChI=1S/C19H29NO2/c1-19(2,17-12-14-20-15-13-17)22-18(21)11-7-6-10-16-8-4-3-5-9-16/h3-5,8-9,17,20H,6-7,10-15H2,1-2H3
InChIKeyMYFKCPCSWPIFJT-UHFFFAOYSA-N
XLogP3.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-piperidin-4-ylpropan-2-yl 4-(4-bromophenyl)butanoate
CID 155605361
1-O-tert-butyl 12-O-(2-piperidin-4-ylpropan-2-yl) dodecanedioate
CID 155075819
2-piperidin-4-ylpropan-2-yl 6-bromohexanoate
CID 155605241
2-piperidin-4-ylpropan-2-yl heptanoate
CID 155075502
4-phenyl-1-(2-piperidin-4-ylpropan-2-yloxy)butan-1-ol
CID 155075765
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-4-ylpropan-2-yl 3-[3-oxo-3-(2-piperidin-4-ylpropan-2-yloxy)propyl]sulfanylpropanoate
CID 155075563
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 propanoate
CID 155605403
bis(2-piperidin-4-ylpropan-2-yl) 2,2-dimethylpentanedioate
CID 155075566

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-ylpropan-2-yl 5-phenylpentanoate?
The IUPAC name of 2-piperidin-4-ylpropan-2-yl 5-phenylpentanoate (CID 155076614) is 2-piperidin-4-ylpropan-2-yl 5-phenylpentanoate.
What is the SMILES notation for 2-piperidin-4-ylpropan-2-yl 5-phenylpentanoate?
The canonical SMILES for 2-piperidin-4-ylpropan-2-yl 5-phenylpentanoate is CC(C)(OC(=O)CCCCc1ccccc1)C1CCNCC1.
What is the InChIKey of 2-piperidin-4-ylpropan-2-yl 5-phenylpentanoate?
The InChIKey is MYFKCPCSWPIFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO2/c1-19(2,17-12-14-20-15-13-17)22-18(21)11-7-6-10-16-8-4-3-5-9-16/h3-5,8-9,17,20H,6-7,10-15H2,1-2H3.
What are the key properties of 2-piperidin-4-ylpropan-2-yl 5-phenylpentanoate?
2-piperidin-4-ylpropan-2-yl 5-phenylpentanoate has a molecular weight of 303.45 g/mol, XLogP of 3.72, 7 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 5-phenylpentanoate is sourced from PubChem (CID 155076614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).