[1-[(4-nitrophenyl)methyl]piperidin-4-yl] 2-hydroxy-2,2-diphenylacetate

C26H26N2O5 — CID 15636670

IUPAC[1-[(4-nitrophenyl)methyl]piperidin-4-yl] 2-hydroxy-2,2-diphenylacetate
SMILESO=C(OC1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H26N2O5/c29-25(26(30,21-7-3-1-4-8-21)22-9-5-2-6-10-22)33-24-15-17-27(18-16-24)19-20-11-13-23(14-12-20)28(31)32/h1-14,24,30H,15-19H2
InChIKeyOSRRPPAVDDEACA-UHFFFAOYSA-N
MW446.50 g/mol
LogP4.04
Rot. Bonds7

About [1-[(4-nitrophenyl)methyl]piperidin-4-yl] 2-hydroxy-2,2-diphenylacetate

[1-[(4-nitrophenyl)methyl]piperidin-4-yl] 2-hydroxy-2,2-diphenylacetate (PubChem CID 15636670) has the molecular formula C26H26N2O5 and a molecular weight of 446.50 g/mol. Its IUPAC name is [1-[(4-nitrophenyl)methyl]piperidin-4-yl] 2-hydroxy-2,2-diphenylacetate.

Molecular Properties

Compound Name[1-[(4-nitrophenyl)methyl]piperidin-4-yl] 2-hydroxy-2,2-diphenylacetate
PubChem CID15636670
Molecular FormulaC26H26N2O5
Molecular Weight446.50 g/mol
Exact Mass446.18
IUPAC Name[1-[(4-nitrophenyl)methyl]piperidin-4-yl] 2-hydroxy-2,2-diphenylacetate
SMILESO=C(OC1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H26N2O5/c29-25(26(30,21-7-3-1-4-8-21)22-9-5-2-6-10-22)33-24-15-17-27(18-16-24)19-20-11-13-23(14-12-20)28(31)32/h1-14,24,30H,15-19H2
InChIKeyOSRRPPAVDDEACA-UHFFFAOYSA-N
XLogP4.04
TPSA92.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.50
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [1-[(4-nitrophenyl)methyl]piperidin-4-yl] 2-hydroxy-2,2-diphenylacetate 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

(1-benzylpiperidin-4-yl) 5-nitropyridine-2-carboxylate
CID 18919766
(1-benzylpiperidin-4-yl) (2S)-2-[3-(3-aminopropoxy)phenyl]-2-hydroxy-2-phenylacetate;dihydrochloride
CID 131749206
tert-butyl 1-[(4-nitrophenyl)methyl]piperidine-4-carboxylate
CID 169448957
1-[(4-nitrophenyl)methyl]-N-phenylpiperidine-4-carboxamide
CID 9134208
3-[1-[(4-nitrophenyl)methyl]piperidin-4-yl]oxypropan-1-ol
CID 71855037
N-benzyl-1-[(4-nitrophenyl)methyl]piperidine-4-carboxamide
CID 26653391
1,4,7,10-tetrakis[(4-nitrophenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 102293980
(1-benzylpiperidin-4-yl) N-(1,1-diphenylethyl)carbamate
CID 10693138
(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl) 2-hydroxy-2,2-diphenylacetate
CID 15992
1-[4-[(4-nitrophenyl)methyl]piperazin-1-yl]-2-phenylethanone
CID 874059
3-[(4-nitrophenyl)methyl]-1,2,4,5-tetrahydro-3-benzazepine
CID 23507712
tert-butyl 2-[7-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4,10-bis[(4-nitrophenyl)methyl]-1,4,7,10-tetrazacyclododec-1-yl]acetate
CID 50936681

Frequently Asked Questions

What is the IUPAC name of [1-[(4-nitrophenyl)methyl]piperidin-4-yl] 2-hydroxy-2,2-diphenylacetate?
The IUPAC name of [1-[(4-nitrophenyl)methyl]piperidin-4-yl] 2-hydroxy-2,2-diphenylacetate (CID 15636670) is [1-[(4-nitrophenyl)methyl]piperidin-4-yl] 2-hydroxy-2,2-diphenylacetate.
What is the SMILES notation for [1-[(4-nitrophenyl)methyl]piperidin-4-yl] 2-hydroxy-2,2-diphenylacetate?
The canonical SMILES for [1-[(4-nitrophenyl)methyl]piperidin-4-yl] 2-hydroxy-2,2-diphenylacetate is O=C(OC1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of [1-[(4-nitrophenyl)methyl]piperidin-4-yl] 2-hydroxy-2,2-diphenylacetate?
The InChIKey is OSRRPPAVDDEACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O5/c29-25(26(30,21-7-3-1-4-8-21)22-9-5-2-6-10-22)33-24-15-17-27(18-16-24)19-20-11-13-23(14-12-20)28(31)32/h1-14,24,30H,15-19H2.
What are the key properties of [1-[(4-nitrophenyl)methyl]piperidin-4-yl] 2-hydroxy-2,2-diphenylacetate?
[1-[(4-nitrophenyl)methyl]piperidin-4-yl] 2-hydroxy-2,2-diphenylacetate has a molecular weight of 446.50 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-nitrophenyl)methyl]piperidin-4-yl] 2-hydroxy-2,2-diphenylacetate is sourced from PubChem (CID 15636670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).