(4-phenylpiperidin-4-yl) 3-cyanobenzoate

C19H18N2O2 — CID 170255790

IUPAC(4-phenylpiperidin-4-yl) 3-cyanobenzoate
SMILESN#Cc1cccc(C(=O)OC2(c3ccccc3)CCNCC2)c1
InChIInChI=1S/C19H18N2O2/c20-14-15-5-4-6-16(13-15)18(22)23-19(9-11-21-12-10-19)17-7-2-1-3-8-17/h1-8,13,21H,9-12H2
InChIKeySGMLISUFOGCWTG-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.99
Rot. Bonds3

About (4-phenylpiperidin-4-yl) 3-cyanobenzoate

(4-phenylpiperidin-4-yl) 3-cyanobenzoate (PubChem CID 170255790) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is (4-phenylpiperidin-4-yl) 3-cyanobenzoate.

Molecular Properties

Compound Name(4-phenylpiperidin-4-yl) 3-cyanobenzoate
PubChem CID170255790
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name(4-phenylpiperidin-4-yl) 3-cyanobenzoate
SMILESN#Cc1cccc(C(=O)OC2(c3ccccc3)CCNCC2)c1
InChIInChI=1S/C19H18N2O2/c20-14-15-5-4-6-16(13-15)18(22)23-19(9-11-21-12-10-19)17-7-2-1-3-8-17/h1-8,13,21H,9-12H2
InChIKeySGMLISUFOGCWTG-UHFFFAOYSA-N
XLogP2.99
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-phenylpiperidin-4-yl) 3-cyanobenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-phenylpiperidin-4-yl) 3,4-dimethoxybenzoate
CID 167316365
(4-phenylpiperidin-4-yl) 2,4,6-trichlorobenzoate
CID 167316403
(4-phenylpiperidin-4-yl) 4-propylbenzoate
CID 167316093
(4-phenylpiperidin-4-yl) 2-aminobenzoate
CID 167315238
(4-phenylpiperidin-4-yl) 2,5-dimethylbenzoate
CID 167315352
(4-phenylpiperidin-4-yl) 2-chloroacetate
CID 167316132
(4-phenylpiperidin-4-yl) 4-(2-iodo-2-methylpropanoyl)oxybenzoate
CID 162508509
(4-phenylpiperidin-4-yl) 2-bromo-2-methylpropanoate
CID 167316143
3-(azanylidyne(113C)methyl)(13C)benzoic acid
CID 76973042
(4-phenylpiperidin-4-yl) 2,5-dimethoxybenzoate
CID 163889911
propyl 3-cyanobenzoate
CID 43389575
(4-phenylpiperidin-4-yl) 4-bromobutanoate
CID 167315705

Frequently Asked Questions

What is the IUPAC name of (4-phenylpiperidin-4-yl) 3-cyanobenzoate?
The IUPAC name of (4-phenylpiperidin-4-yl) 3-cyanobenzoate (CID 170255790) is (4-phenylpiperidin-4-yl) 3-cyanobenzoate.
What is the SMILES notation for (4-phenylpiperidin-4-yl) 3-cyanobenzoate?
The canonical SMILES for (4-phenylpiperidin-4-yl) 3-cyanobenzoate is N#Cc1cccc(C(=O)OC2(c3ccccc3)CCNCC2)c1.
What is the InChIKey of (4-phenylpiperidin-4-yl) 3-cyanobenzoate?
The InChIKey is SGMLISUFOGCWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c20-14-15-5-4-6-16(13-15)18(22)23-19(9-11-21-12-10-19)17-7-2-1-3-8-17/h1-8,13,21H,9-12H2.
What are the key properties of (4-phenylpiperidin-4-yl) 3-cyanobenzoate?
(4-phenylpiperidin-4-yl) 3-cyanobenzoate has a molecular weight of 306.37 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylpiperidin-4-yl) 3-cyanobenzoate is sourced from PubChem (CID 170255790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).