(4-phenylpiperidin-4-yl) 5-phenylpentanoate

C22H27NO2 — CID 167316142

IUPAC(4-phenylpiperidin-4-yl) 5-phenylpentanoate
SMILESO=C(CCCCc1ccccc1)OC1(c2ccccc2)CCNCC1
InChIInChI=1S/C22H27NO2/c24-21(14-8-7-11-19-9-3-1-4-10-19)25-22(15-17-23-18-16-22)20-12-5-2-6-13-20/h1-6,9-10,12-13,23H,7-8,11,14-18H2
InChIKeyJVEMEICCEYWLFQ-UHFFFAOYSA-N
MW337.46 g/mol
LogP4.22
Rot. Bonds7

About (4-phenylpiperidin-4-yl) 5-phenylpentanoate

(4-phenylpiperidin-4-yl) 5-phenylpentanoate (PubChem CID 167316142) has the molecular formula C22H27NO2 and a molecular weight of 337.46 g/mol. Its IUPAC name is (4-phenylpiperidin-4-yl) 5-phenylpentanoate.

Molecular Properties

Compound Name(4-phenylpiperidin-4-yl) 5-phenylpentanoate
PubChem CID167316142
Molecular FormulaC22H27NO2
Molecular Weight337.46 g/mol
Exact Mass337.20
IUPAC Name(4-phenylpiperidin-4-yl) 5-phenylpentanoate
SMILESO=C(CCCCc1ccccc1)OC1(c2ccccc2)CCNCC1
InChIInChI=1S/C22H27NO2/c24-21(14-8-7-11-19-9-3-1-4-10-19)25-22(15-17-23-18-16-22)20-12-5-2-6-13-20/h1-6,9-10,12-13,23H,7-8,11,14-18H2
InChIKeyJVEMEICCEYWLFQ-UHFFFAOYSA-N
XLogP4.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 54.22
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

(4-phenylpiperidin-4-yl) 4-bromobutanoate
CID 167315705
(4-phenylpiperidin-4-yl) 15-hydroxypentadecanoate
CID 167314891
(4-phenylpiperidin-4-yl) 7-bromoheptanoate
CID 167314725
12-O-tert-butyl 1-O-(4-phenylpiperidin-4-yl) dodecanedioate
CID 167315434
(4-phenylpiperidin-4-yl) 2-chloroacetate
CID 167316132
4-O-tert-butyl 1-O-(4-phenylpiperidin-4-yl) butanedioate
CID 167316030
(4-phenylpiperidin-4-yl) 4-propylbenzoate
CID 167316093
(4-phenylpiperidin-4-yl) 2-(4-methylsulfonylphenyl)acetate
CID 167316272
(4-phenylpiperidin-4-yl) 2-naphthalen-2-yloxyacetate
CID 167315987
(4-phenylpiperidin-4-yl) 2-bromo-2-methylpropanoate
CID 167316143
(4-phenylpiperidin-4-yl) 2,3-dichloropropanoate
CID 167315272
(4-phenylpiperidin-4-yl) 2-chloropropanoate
CID 167314944

Frequently Asked Questions

What is the IUPAC name of (4-phenylpiperidin-4-yl) 5-phenylpentanoate?
The IUPAC name of (4-phenylpiperidin-4-yl) 5-phenylpentanoate (CID 167316142) is (4-phenylpiperidin-4-yl) 5-phenylpentanoate.
What is the SMILES notation for (4-phenylpiperidin-4-yl) 5-phenylpentanoate?
The canonical SMILES for (4-phenylpiperidin-4-yl) 5-phenylpentanoate is O=C(CCCCc1ccccc1)OC1(c2ccccc2)CCNCC1.
What is the InChIKey of (4-phenylpiperidin-4-yl) 5-phenylpentanoate?
The InChIKey is JVEMEICCEYWLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO2/c24-21(14-8-7-11-19-9-3-1-4-10-19)25-22(15-17-23-18-16-22)20-12-5-2-6-13-20/h1-6,9-10,12-13,23H,7-8,11,14-18H2.
What are the key properties of (4-phenylpiperidin-4-yl) 5-phenylpentanoate?
(4-phenylpiperidin-4-yl) 5-phenylpentanoate has a molecular weight of 337.46 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylpiperidin-4-yl) 5-phenylpentanoate is sourced from PubChem (CID 167316142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).