(4-phenylpiperidin-4-yl) 2-phenoxypropanoate

C20H23NO3 — CID 167315051

IUPAC(4-phenylpiperidin-4-yl) 2-phenoxypropanoate
SMILESCC(Oc1ccccc1)C(=O)OC1(c2ccccc2)CCNCC1
InChIInChI=1S/C20H23NO3/c1-16(23-18-10-6-3-7-11-18)19(22)24-20(12-14-21-15-13-20)17-8-4-2-5-9-17/h2-11,16,21H,12-15H2,1H3
InChIKeyGKBYOIVIBLDHHE-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.28
Rot. Bonds5

About (4-phenylpiperidin-4-yl) 2-phenoxypropanoate

(4-phenylpiperidin-4-yl) 2-phenoxypropanoate (PubChem CID 167315051) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is (4-phenylpiperidin-4-yl) 2-phenoxypropanoate.

Molecular Properties

Compound Name(4-phenylpiperidin-4-yl) 2-phenoxypropanoate
PubChem CID167315051
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name(4-phenylpiperidin-4-yl) 2-phenoxypropanoate
SMILESCC(Oc1ccccc1)C(=O)OC1(c2ccccc2)CCNCC1
InChIInChI=1S/C20H23NO3/c1-16(23-18-10-6-3-7-11-18)19(22)24-20(12-14-21-15-13-20)17-8-4-2-5-9-17/h2-11,16,21H,12-15H2,1H3
InChIKeyGKBYOIVIBLDHHE-UHFFFAOYSA-N
XLogP3.28
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-phenylpiperidin-4-yl) 2-chloropropanoate
CID 167314944
(4-phenylpiperidin-4-yl) 2-hydroxyoctanoate
CID 167315335
(4-phenylpiperidin-4-yl) 2-chloroacetate
CID 167316132
(4-phenylpiperidin-4-yl) 2-aminobenzoate
CID 167315238
(2S)-N-[(4-methylpiperidin-4-yl)methyl]-2-phenoxypropanamide
CID 99820281
(4-phenylpiperidin-4-yl) 4-bromobutanoate
CID 167315705
(4-phenylpiperidin-4-yl) 4-bromobenzoate
CID 167315681
4-O-tert-butyl 1-O-(4-phenylpiperidin-4-yl) butanedioate
CID 167316030
ethane;4-methoxy-4-phenylpiperidine
CID 144662797
(4-phenylpiperidin-4-yl) 2,5-dimethoxybenzoate
CID 163889911
(4-phenylpiperidin-4-yl) 9-hydroxyfluorene-9-carboxylate
CID 167314746
(4-phenylpiperidin-4-yl) 3-(2-iodopropanoyloxy)adamantane-1-carboxylate
CID 162508248

Frequently Asked Questions

What is the IUPAC name of (4-phenylpiperidin-4-yl) 2-phenoxypropanoate?
The IUPAC name of (4-phenylpiperidin-4-yl) 2-phenoxypropanoate (CID 167315051) is (4-phenylpiperidin-4-yl) 2-phenoxypropanoate.
What is the SMILES notation for (4-phenylpiperidin-4-yl) 2-phenoxypropanoate?
The canonical SMILES for (4-phenylpiperidin-4-yl) 2-phenoxypropanoate is CC(Oc1ccccc1)C(=O)OC1(c2ccccc2)CCNCC1.
What is the InChIKey of (4-phenylpiperidin-4-yl) 2-phenoxypropanoate?
The InChIKey is GKBYOIVIBLDHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-16(23-18-10-6-3-7-11-18)19(22)24-20(12-14-21-15-13-20)17-8-4-2-5-9-17/h2-11,16,21H,12-15H2,1H3.
What are the key properties of (4-phenylpiperidin-4-yl) 2-phenoxypropanoate?
(4-phenylpiperidin-4-yl) 2-phenoxypropanoate has a molecular weight of 325.41 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylpiperidin-4-yl) 2-phenoxypropanoate is sourced from PubChem (CID 167315051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).