(4-nitrophenyl) 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate

C25H24N2O5 — CID 45104437

IUPAC(4-nitrophenyl) 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate
SMILESO=C(Oc1ccc([N+](=O)[O-])cc1)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C25H24N2O5/c28-24(32-23-13-11-22(12-14-23)27(30)31)26-17-15-21(16-18-26)25(29,19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-14,21,29H,15-18H2
InChIKeyJVDBYHMYZZPANM-UHFFFAOYSA-N
MW432.48 g/mol
LogP4.74
Rot. Bonds5

About (4-nitrophenyl) 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate

(4-nitrophenyl) 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate (PubChem CID 45104437) has the molecular formula C25H24N2O5 and a molecular weight of 432.48 g/mol. Its IUPAC name is (4-nitrophenyl) 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Name(4-nitrophenyl) 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate
PubChem CID45104437
Molecular FormulaC25H24N2O5
Molecular Weight432.48 g/mol
Exact Mass432.17
IUPAC Name(4-nitrophenyl) 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate
SMILESO=C(Oc1ccc([N+](=O)[O-])cc1)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C25H24N2O5/c28-24(32-23-13-11-22(12-14-23)27(30)31)26-17-15-21(16-18-26)25(29,19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-14,21,29H,15-18H2
InChIKeyJVDBYHMYZZPANM-UHFFFAOYSA-N
XLogP4.74
TPSA92.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Jzl-195
CID 46232606
4-Nitrophenyl 4-Benzylpiperazine-1-carboxylate
CID 45104861
[4-(Methanesulfonamido)phenyl] 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate
CID 70689965
4-Nitrophenyl 4-(bis(4-fluorophenyl)methyl)piperazine-1-carboxylate
CID 25021166
4-Nitrophenyl 4-(hydroxybis(4-methoxyphenyl)methyl)piperidine-1-carboxylate
CID 25021168
4-Nitrophenyl 4-(3-(3-(Trifluoromethyl)phenoxy)benzyl)piperazine-1-carboxylate
CID 45103520
4-Nitrophenyl 2,2-Diphenyl-1-oxa-6-azaspiro[2.5]octane-6-carboxylate
CID 45104535
(4-Nitrophenyl) 4-[bis(4-methoxyphenyl)methyl]piperidine-1-carboxylate
CID 45104537
4-Nitrophenyl 4-(Hydroxybis(3-methoxyphenyl)methyl)piperidine-1-carboxylate
CID 45104759
4-Nitrophenyl 4-(Hydroxybis(2-methoxyphenyl)methyl)piperidine-1-carboxylate
CID 45104760
4-Nitrophenyl 4-(Bis(4-chlorophenyl)(hydroxy)methyl)piperidine-1-carboxylate
CID 45104856
4-Nitrophenyl 4-(Hydroxydinaphthalen-2-ylmethyl)piperidine-1-carboxylate
CID 45104857

Frequently Asked Questions

What is the IUPAC name of (4-nitrophenyl) 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate?
The IUPAC name of (4-nitrophenyl) 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate (CID 45104437) is (4-nitrophenyl) 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate.
What is the SMILES notation for (4-nitrophenyl) 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate?
The canonical SMILES for (4-nitrophenyl) 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate is O=C(Oc1ccc([N+](=O)[O-])cc1)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of (4-nitrophenyl) 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate?
The InChIKey is JVDBYHMYZZPANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O5/c28-24(32-23-13-11-22(12-14-23)27(30)31)26-17-15-21(16-18-26)25(29,19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-14,21,29H,15-18H2.
What are the key properties of (4-nitrophenyl) 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate?
(4-nitrophenyl) 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate has a molecular weight of 432.48 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-nitrophenyl) 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 45104437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).