[4-[2-(4-acetyloxyphenyl)propan-2-yl]phenyl] acetate;4-[2-(4-aminocyclohexyl)propan-2-yl]cyclohexan-1-amine;1-benzylpiperidin-4-amine;4-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexan-1-ol;4-[2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl]-2,6-dimethylphenol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;N-phenylpyridine-3-carboxamide

C107H146N6O11 — CID 157158213

About [4-[2-(4-acetyloxyphenyl)propan-2-yl]phenyl] acetate;4-[2-(4-aminocyclohexyl)propan-2-yl]cyclohexan-1-amine;1-benzylpiperidin-4-amine;4-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexan-1-ol;4-[2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl]-2,6-dimethylphenol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;N-phenylpyridine-3-carboxamide

[4-[2-(4-acetyloxyphenyl)propan-2-yl]phenyl] acetate;4-[2-(4-aminocyclohexyl)propan-2-yl]cyclohexan-1-amine;1-benzylpiperidin-4-amine;4-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexan-1-ol;4-[2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl]-2,6-dimethylphenol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;N-phenylpyridine-3-carboxamide (PubChem CID 157158213) has the molecular formula C107H146N6O11 and a molecular weight of 1692.38 g/mol. Its IUPAC name is [4-[2-(4-acetyloxyphenyl)propan-2-yl]phenyl] acetate;4-[2-(4-aminocyclohexyl)propan-2-yl]cyclohexan-1-amine;1-benzylpiperidin-4-amine;4-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexan-1-ol;4-[2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl]-2,6-dimethylphenol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;N-phenylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: [4-[2-(4-acetyloxyphenyl)propan-2-yl]phenyl] acetate;4-[2-(4-aminocyclohexyl)propan-2-yl]cyclohexan-1-amine;1-benzylpiperidin-4-amine;4-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexan-1-ol;4-[2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl]-2,6-dimethylphenol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;N-phenylpyridine-3-carboxamide
• PubChem CID: 157158213
• Molecular Formula: C107H146N6O11
• Molecular Weight: 1692.38 g/mol
• Exact Mass: 1691.10
• IUPAC Name: [4-[2-(4-acetyloxyphenyl)propan-2-yl]phenyl] acetate;4-[2-(4-aminocyclohexyl)propan-2-yl]cyclohexan-1-amine;1-benzylpiperidin-4-amine;4-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexan-1-ol;4-[2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl]-2,6-dimethylphenol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;N-phenylpyridine-3-carboxamide
• SMILES: CC(=O)Oc1ccc(C(C)(C)c2ccc(OC(C)=O)cc2)cc1.CC(C)(C1CCC(N)CC1)C1CCC(N)CC1.CC(C)(C1CCC(O)CC1)C1CCC(O)CC1.CC(C)(c1ccc(O)cc1)c1ccc(O)cc1.Cc1cc(C(C)(C)c2cc(C)c(O)c(C)c2)cc(C)c1O.NC1CCN(Cc2ccccc2)CC1.O=C(Nc1ccccc1)c1cccnc1
• InChI: InChI=1S/C19H20O4.C19H24O2.C15H30N2.C15H28O2.C15H16O2.C12H10N2O.C12H18N2/c1-13(20)22-17-9-5-15(6-10-17)19(3,4)16-7-11-18(12-8-16)23-14(2)21;1-11-7-15(8-12(2)17(11)20)19(5,6)16-9-13(3)18(21)14(4)10-16;3*1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12;15-12(10-5-4-8-13-9-10)14-11-6-2-1-3-7-11;13-12-6-8-14(9-7-12)10-11-4-2-1-3-5-11/h5-12H,1-4H3;7-10,20-21H,1-6H3;11-14H,3-10,16-17H2,1-2H3;11-14,16-17H,3-10H2,1-2H3;3-10,16-17H,1-2H3;1-9H,(H,14,15);1-5,12H,6-10,13H2
• InChIKey: AMBGCFCKEMKNTB-UHFFFAOYSA-N
• XLogP: 22.05
• TPSA: 297.27 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 16
• Rotatable Bonds: 16
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1692.38
LogP ≤ 5	22.05
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [4-[2-(4-acetyloxyphenyl)propan-2-yl]phenyl] acetate;4-[2-(4-aminocyclohexyl)propan-2-yl]cyclohexan-1-amine;1-benzylpiperidin-4-amine;4-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexan-1-ol;4-[2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl]-2,6-dimethylphenol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;N-phenylpyridine-3-carboxamide?

The IUPAC name of [4-[2-(4-acetyloxyphenyl)propan-2-yl]phenyl] acetate;4-[2-(4-aminocyclohexyl)propan-2-yl]cyclohexan-1-amine;1-benzylpiperidin-4-amine;4-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexan-1-ol;4-[2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl]-2,6-dimethylphenol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;N-phenylpyridine-3-carboxamide (CID 157158213) is [4-[2-(4-acetyloxyphenyl)propan-2-yl]phenyl] acetate;4-[2-(4-aminocyclohexyl)propan-2-yl]cyclohexan-1-amine;1-benzylpiperidin-4-amine;4-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexan-1-ol;4-[2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl]-2,6-dimethylphenol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;N-phenylpyridine-3-carboxamide.

What is the SMILES notation for [4-[2-(4-acetyloxyphenyl)propan-2-yl]phenyl] acetate;4-[2-(4-aminocyclohexyl)propan-2-yl]cyclohexan-1-amine;1-benzylpiperidin-4-amine;4-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexan-1-ol;4-[2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl]-2,6-dimethylphenol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;N-phenylpyridine-3-carboxamide?

The canonical SMILES for [4-[2-(4-acetyloxyphenyl)propan-2-yl]phenyl] acetate;4-[2-(4-aminocyclohexyl)propan-2-yl]cyclohexan-1-amine;1-benzylpiperidin-4-amine;4-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexan-1-ol;4-[2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl]-2,6-dimethylphenol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;N-phenylpyridine-3-carboxamide is CC(=O)Oc1ccc(C(C)(C)c2ccc(OC(C)=O)cc2)cc1.CC(C)(C1CCC(N)CC1)C1CCC(N)CC1.CC(C)(C1CCC(O)CC1)C1CCC(O)CC1.CC(C)(c1ccc(O)cc1)c1ccc(O)cc1.Cc1cc(C(C)(C)c2cc(C)c(O)c(C)c2)cc(C)c1O.NC1CCN(Cc2ccccc2)CC1.O=C(Nc1ccccc1)c1cccnc1.

What is the InChIKey of [4-[2-(4-acetyloxyphenyl)propan-2-yl]phenyl] acetate;4-[2-(4-aminocyclohexyl)propan-2-yl]cyclohexan-1-amine;1-benzylpiperidin-4-amine;4-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexan-1-ol;4-[2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl]-2,6-dimethylphenol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;N-phenylpyridine-3-carboxamide?

The InChIKey is AMBGCFCKEMKNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O4.C19H24O2.C15H30N2.C15H28O2.C15H16O2.C12H10N2O.C12H18N2/c1-13(20)22-17-9-5-15(6-10-17)19(3,4)16-7-11-18(12-8-16)23-14(2)21;1-11-7-15(8-12(2)17(11)20)19(5,6)16-9-13(3)18(21)14(4)10-16;3*1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12;15-12(10-5-4-8-13-9-10)14-11-6-2-1-3-7-11;13-12-6-8-14(9-7-12)10-11-4-2-1-3-5-11/h5-12H,1-4H3;7-10,20-21H,1-6H3;11-14H,3-10,16-17H2,1-2H3;11-14,16-17H,3-10H2,1-2H3;3-10,16-17H,1-2H3;1-9H,(H,14,15);1-5,12H,6-10,13H2.

What are the key properties of [4-[2-(4-acetyloxyphenyl)propan-2-yl]phenyl] acetate;4-[2-(4-aminocyclohexyl)propan-2-yl]cyclohexan-1-amine;1-benzylpiperidin-4-amine;4-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexan-1-ol;4-[2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl]-2,6-dimethylphenol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;N-phenylpyridine-3-carboxamide?

[4-[2-(4-acetyloxyphenyl)propan-2-yl]phenyl] acetate;4-[2-(4-aminocyclohexyl)propan-2-yl]cyclohexan-1-amine;1-benzylpiperidin-4-amine;4-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexan-1-ol;4-[2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl]-2,6-dimethylphenol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;N-phenylpyridine-3-carboxamide has a molecular weight of 1692.38 g/mol, XLogP of 22.05, 16 rotatable bonds, 10 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[2-(4-acetyloxyphenyl)propan-2-yl]phenyl] acetate;4-[2-(4-aminocyclohexyl)propan-2-yl]cyclohexan-1-amine;1-benzylpiperidin-4-amine;4-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexan-1-ol;4-[2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl]-2,6-dimethylphenol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;N-phenylpyridine-3-carboxamide is sourced from PubChem (CID 157158213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).