(4-phenylpiperidin-4-yl) 2-ethoxybenzoate

C20H23NO3 — CID 167315887

IUPAC(4-phenylpiperidin-4-yl) 2-ethoxybenzoate
SMILESCCOc1ccccc1C(=O)OC1(c2ccccc2)CCNCC1
InChIInChI=1S/C20H23NO3/c1-2-23-18-11-7-6-10-17(18)19(22)24-20(12-14-21-15-13-20)16-8-4-3-5-9-16/h3-11,21H,2,12-15H2,1H3
InChIKeyRWVLDAKDWXDTLO-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.52
Rot. Bonds5

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

(4-phenylpiperidin-4-yl) 2-ethoxybenzoate (PubChem CID 167315887) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is (4-phenylpiperidin-4-yl) 2-ethoxybenzoate.

Molecular Properties

Compound Name(4-phenylpiperidin-4-yl) 2-ethoxybenzoate
PubChem CID167315887
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name(4-phenylpiperidin-4-yl) 2-ethoxybenzoate
SMILESCCOc1ccccc1C(=O)OC1(c2ccccc2)CCNCC1
InChIInChI=1S/C20H23NO3/c1-2-23-18-11-7-6-10-17(18)19(22)24-20(12-14-21-15-13-20)16-8-4-3-5-9-16/h3-11,21H,2,12-15H2,1H3
InChIKeyRWVLDAKDWXDTLO-UHFFFAOYSA-N
XLogP3.52
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 ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-phenylpiperidin-4-yl) 2-aminobenzoate
CID 167315238
(4-phenylpiperidin-4-yl) 3-acetyloxy-2-methylbenzoate
CID 167315206
(4-phenylpiperidin-4-yl) 4-chloro-2-methoxybenzoate
CID 167315777
(4-phenylpiperidin-4-yl) 2,5-dimethylbenzoate
CID 167315352
(4-phenylpiperidin-4-yl) 4-propylbenzoate
CID 167316093
(4-phenylpiperidin-4-yl) 2-chloroacetate
CID 167316132
2-ethoxybenzenecarboperoxoic acid
CID 22314606
(4-phenylpiperidin-4-yl) 2-bromo-2-methylpropanoate
CID 167316143
(4-phenylpiperidin-4-yl) 4-bromobutanoate
CID 167315705
(4-phenylpiperidin-4-yl) 2-chloropropanoate
CID 167314944
(4-phenylpiperidin-4-yl) 2,4,6-trichlorobenzoate
CID 167316403
(4-phenylpiperidin-4-yl) 2-hydroxynaphthalene-1-carboxylate
CID 167314999

Frequently Asked Questions

What is the IUPAC name of (4-phenylpiperidin-4-yl) 2-ethoxybenzoate?
The IUPAC name of (4-phenylpiperidin-4-yl) 2-ethoxybenzoate (CID 167315887) is (4-phenylpiperidin-4-yl) 2-ethoxybenzoate.
What is the SMILES notation for (4-phenylpiperidin-4-yl) 2-ethoxybenzoate?
The canonical SMILES for (4-phenylpiperidin-4-yl) 2-ethoxybenzoate is CCOc1ccccc1C(=O)OC1(c2ccccc2)CCNCC1.
What is the InChIKey of (4-phenylpiperidin-4-yl) 2-ethoxybenzoate?
The InChIKey is RWVLDAKDWXDTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-2-23-18-11-7-6-10-17(18)19(22)24-20(12-14-21-15-13-20)16-8-4-3-5-9-16/h3-11,21H,2,12-15H2,1H3.
What are the key properties of (4-phenylpiperidin-4-yl) 2-ethoxybenzoate?
(4-phenylpiperidin-4-yl) 2-ethoxybenzoate has a molecular weight of 325.41 g/mol, XLogP of 3.52, 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-ethoxybenzoate is sourced from PubChem (CID 167315887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).