(4-chlorophenyl)methyl 1-(2-nitrophenyl)piperidine-4-carboxylate

C19H19ClN2O4 — CID 46794243

IUPAC(4-chlorophenyl)methyl 1-(2-nitrophenyl)piperidine-4-carboxylate
SMILESO=C(OCc1ccc(Cl)cc1)C1CCN(c2ccccc2[N+](=O)[O-])CC1
InChIInChI=1S/C19H19ClN2O4/c20-16-7-5-14(6-8-16)13-26-19(23)15-9-11-21(12-10-15)17-3-1-2-4-18(17)22(24)25/h1-8,15H,9-13H2
InChIKeyKJHPMACBODDIQM-UHFFFAOYSA-N
MW374.82 g/mol
LogP4.21
Rot. Bonds5

About (4-chlorophenyl)methyl 1-(2-nitrophenyl)piperidine-4-carboxylate

(4-chlorophenyl)methyl 1-(2-nitrophenyl)piperidine-4-carboxylate (PubChem CID 46794243) has the molecular formula C19H19ClN2O4 and a molecular weight of 374.82 g/mol. Its IUPAC name is (4-chlorophenyl)methyl 1-(2-nitrophenyl)piperidine-4-carboxylate.

Molecular Properties

Compound Name(4-chlorophenyl)methyl 1-(2-nitrophenyl)piperidine-4-carboxylate
PubChem CID46794243
Molecular FormulaC19H19ClN2O4
Molecular Weight374.82 g/mol
Exact Mass374.10
IUPAC Name(4-chlorophenyl)methyl 1-(2-nitrophenyl)piperidine-4-carboxylate
SMILESO=C(OCc1ccc(Cl)cc1)C1CCN(c2ccccc2[N+](=O)[O-])CC1
InChIInChI=1S/C19H19ClN2O4/c20-16-7-5-14(6-8-16)13-26-19(23)15-9-11-21(12-10-15)17-3-1-2-4-18(17)22(24)25/h1-8,15H,9-13H2
InChIKeyKJHPMACBODDIQM-UHFFFAOYSA-N
XLogP4.21
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.82
LogP ≤ 54.21
H-Bond Donors ≤ 50
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

(3-chlorophenyl)methyl 1-(2-nitrophenyl)piperidine-4-carboxylate
CID 7835650
[4-(difluoromethoxy)phenyl]methyl 1-(2-nitrophenyl)piperidine-4-carboxylate
CID 55975173
[2-(azepan-1-yl)-2-oxoethyl] 1-(2-nitrophenyl)piperidine-4-carboxylate
CID 46794254
[2-(cyclohexylamino)-2-oxoethyl] 1-(2-nitrophenyl)piperidine-4-carboxylate
CID 7835754
[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl] 1-(2-nitrophenyl)piperidine-4-carboxylate
CID 46608136
[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 1-(2-nitrophenyl)piperidine-4-carboxylate
CID 7835572
[2-(ethoxycarbonylamino)-2-oxoethyl] 1-(2-nitrophenyl)piperidine-4-carboxylate
CID 7835597
(7-ethyl-2-oxochromen-4-yl)methyl 1-(2-nitrophenyl)piperidine-4-carboxylate
CID 46794261
N-[2-(4-chlorophenyl)-2-methylpropyl]-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 52707327
[2-(2-methoxycarbonylanilino)-2-oxoethyl] 1-(2-nitrophenyl)piperidine-4-carboxylate
CID 31660979
[1-(2-nitrophenyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 27670338
[2-(4-cyanoanilino)-2-oxoethyl] 1-(2-nitrophenyl)piperidine-4-carboxylate
CID 7835751

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)methyl 1-(2-nitrophenyl)piperidine-4-carboxylate?
The IUPAC name of (4-chlorophenyl)methyl 1-(2-nitrophenyl)piperidine-4-carboxylate (CID 46794243) is (4-chlorophenyl)methyl 1-(2-nitrophenyl)piperidine-4-carboxylate.
What is the SMILES notation for (4-chlorophenyl)methyl 1-(2-nitrophenyl)piperidine-4-carboxylate?
The canonical SMILES for (4-chlorophenyl)methyl 1-(2-nitrophenyl)piperidine-4-carboxylate is O=C(OCc1ccc(Cl)cc1)C1CCN(c2ccccc2[N+](=O)[O-])CC1.
What is the InChIKey of (4-chlorophenyl)methyl 1-(2-nitrophenyl)piperidine-4-carboxylate?
The InChIKey is KJHPMACBODDIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O4/c20-16-7-5-14(6-8-16)13-26-19(23)15-9-11-21(12-10-15)17-3-1-2-4-18(17)22(24)25/h1-8,15H,9-13H2.
What are the key properties of (4-chlorophenyl)methyl 1-(2-nitrophenyl)piperidine-4-carboxylate?
(4-chlorophenyl)methyl 1-(2-nitrophenyl)piperidine-4-carboxylate has a molecular weight of 374.82 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)methyl 1-(2-nitrophenyl)piperidine-4-carboxylate is sourced from PubChem (CID 46794243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).