(4-phenylpiperidin-4-yl) 15-hydroxypentadecanoate

C26H43NO3 — CID 167314891

IUPAC(4-phenylpiperidin-4-yl) 15-hydroxypentadecanoate
SMILESO=C(CCCCCCCCCCCCCCO)OC1(c2ccccc2)CCNCC1
InChIInChI=1S/C26H43NO3/c28-23-15-10-8-6-4-2-1-3-5-7-9-14-18-25(29)30-26(19-21-27-22-20-26)24-16-12-11-13-17-24/h11-13,16-17,27-28H,1-10,14-15,18-23H2
InChIKeyAPTSZNCCBMKJSR-UHFFFAOYSA-N
MW417.63 g/mol
LogP5.87
Rot. Bonds16

About (4-phenylpiperidin-4-yl) 15-hydroxypentadecanoate

(4-phenylpiperidin-4-yl) 15-hydroxypentadecanoate (PubChem CID 167314891) has the molecular formula C26H43NO3 and a molecular weight of 417.63 g/mol. Its IUPAC name is (4-phenylpiperidin-4-yl) 15-hydroxypentadecanoate.

Molecular Properties

Compound Name(4-phenylpiperidin-4-yl) 15-hydroxypentadecanoate
PubChem CID167314891
Molecular FormulaC26H43NO3
Molecular Weight417.63 g/mol
Exact Mass417.32
IUPAC Name(4-phenylpiperidin-4-yl) 15-hydroxypentadecanoate
SMILESO=C(CCCCCCCCCCCCCCO)OC1(c2ccccc2)CCNCC1
InChIInChI=1S/C26H43NO3/c28-23-15-10-8-6-4-2-1-3-5-7-9-14-18-25(29)30-26(19-21-27-22-20-26)24-16-12-11-13-17-24/h11-13,16-17,27-28H,1-10,14-15,18-23H2
InChIKeyAPTSZNCCBMKJSR-UHFFFAOYSA-N
XLogP5.87
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.63
LogP ≤ 55.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-phenylpiperidin-4-yl) 7-bromoheptanoate
CID 167314725
(4-phenylpiperidin-4-yl) 4-bromobutanoate
CID 167315705
(4-phenylpiperidin-4-yl) 5-phenylpentanoate
CID 167316142
12-O-tert-butyl 1-O-(4-phenylpiperidin-4-yl) dodecanedioate
CID 167315434
(4-phenylpiperidin-4-yl) (E)-octadec-9-enoate
CID 167315657
(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) 2-naphthalen-2-yloxyacetate
CID 167315987
(4-phenylpiperidin-4-yl) 2-(4-methylsulfonylphenyl)acetate
CID 167316272
(4-phenylpiperidin-4-yl) 2-hydroxyoctanoate
CID 167315335
(4-phenylpiperidin-4-yl) 2-chloropropanoate
CID 167314944
(4-phenylpiperidin-4-yl) 2,4,6-tribromobenzoate
CID 167314703

Frequently Asked Questions

What is the IUPAC name of (4-phenylpiperidin-4-yl) 15-hydroxypentadecanoate?
The IUPAC name of (4-phenylpiperidin-4-yl) 15-hydroxypentadecanoate (CID 167314891) is (4-phenylpiperidin-4-yl) 15-hydroxypentadecanoate.
What is the SMILES notation for (4-phenylpiperidin-4-yl) 15-hydroxypentadecanoate?
The canonical SMILES for (4-phenylpiperidin-4-yl) 15-hydroxypentadecanoate is O=C(CCCCCCCCCCCCCCO)OC1(c2ccccc2)CCNCC1.
What is the InChIKey of (4-phenylpiperidin-4-yl) 15-hydroxypentadecanoate?
The InChIKey is APTSZNCCBMKJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H43NO3/c28-23-15-10-8-6-4-2-1-3-5-7-9-14-18-25(29)30-26(19-21-27-22-20-26)24-16-12-11-13-17-24/h11-13,16-17,27-28H,1-10,14-15,18-23H2.
What are the key properties of (4-phenylpiperidin-4-yl) 15-hydroxypentadecanoate?
(4-phenylpiperidin-4-yl) 15-hydroxypentadecanoate has a molecular weight of 417.63 g/mol, XLogP of 5.87, 16 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylpiperidin-4-yl) 15-hydroxypentadecanoate is sourced from PubChem (CID 167314891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).