(4-phenylpiperidin-4-yl) 2-aminobenzoate

C18H20N2O2 — CID 167315238

IUPAC(4-phenylpiperidin-4-yl) 2-aminobenzoate
SMILESNc1ccccc1C(=O)OC1(c2ccccc2)CCNCC1
InChIInChI=1S/C18H20N2O2/c19-16-9-5-4-8-15(16)17(21)22-18(10-12-20-13-11-18)14-6-2-1-3-7-14/h1-9,20H,10-13,19H2
InChIKeyNBHUKGJINSNPIK-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.70
Rot. Bonds3

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

(4-phenylpiperidin-4-yl) 2-aminobenzoate (PubChem CID 167315238) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is (4-phenylpiperidin-4-yl) 2-aminobenzoate.

Molecular Properties

Compound Name(4-phenylpiperidin-4-yl) 2-aminobenzoate
PubChem CID167315238
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name(4-phenylpiperidin-4-yl) 2-aminobenzoate
SMILESNc1ccccc1C(=O)OC1(c2ccccc2)CCNCC1
InChIInChI=1S/C18H20N2O2/c19-16-9-5-4-8-15(16)17(21)22-18(10-12-20-13-11-18)14-6-2-1-3-7-14/h1-9,20H,10-13,19H2
InChIKeyNBHUKGJINSNPIK-UHFFFAOYSA-N
XLogP2.70
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-phenylpiperidin-4-yl) 2-ethoxybenzoate
CID 167315887
(4-phenylpiperidin-4-yl) 4-bromobenzoate
CID 167315681
(4-phenylpiperidin-4-yl) 2,3,4,5-tetrachlorobenzoate
CID 167316206
(4-phenylpiperidin-4-yl) 2,5-dimethylbenzoate
CID 167315352
(4-phenylpiperidin-4-yl) 2,4,6-tribromobenzoate
CID 167314703
(4-phenylpiperidin-4-yl) 3-acetyloxy-2-methylbenzoate
CID 167315206
(4-phenylpiperidin-4-yl) 2-bromo-2-methylpropanoate
CID 167316143
(4-phenylpiperidin-4-yl) 2,3-dichloropropanoate
CID 167315272
(4-phenylpiperidin-4-yl) 2,5-dimethoxybenzoate
CID 163889911
(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

Frequently Asked Questions

What is the IUPAC name of (4-phenylpiperidin-4-yl) 2-aminobenzoate?
The IUPAC name of (4-phenylpiperidin-4-yl) 2-aminobenzoate (CID 167315238) is (4-phenylpiperidin-4-yl) 2-aminobenzoate.
What is the SMILES notation for (4-phenylpiperidin-4-yl) 2-aminobenzoate?
The canonical SMILES for (4-phenylpiperidin-4-yl) 2-aminobenzoate is Nc1ccccc1C(=O)OC1(c2ccccc2)CCNCC1.
What is the InChIKey of (4-phenylpiperidin-4-yl) 2-aminobenzoate?
The InChIKey is NBHUKGJINSNPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c19-16-9-5-4-8-15(16)17(21)22-18(10-12-20-13-11-18)14-6-2-1-3-7-14/h1-9,20H,10-13,19H2.
What are the key properties of (4-phenylpiperidin-4-yl) 2-aminobenzoate?
(4-phenylpiperidin-4-yl) 2-aminobenzoate has a molecular weight of 296.37 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylpiperidin-4-yl) 2-aminobenzoate is sourced from PubChem (CID 167315238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).