4-(1-methylpyrazol-4-yl)-1-(4-nitrophenyl)piperidine

C15H18N4O2 — CID 133300632

IUPAC4-(1-methylpyrazol-4-yl)-1-(4-nitrophenyl)piperidine
SMILESCn1cc(C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cn1
InChIInChI=1S/C15H18N4O2/c1-17-11-13(10-16-17)12-6-8-18(9-7-12)14-2-4-15(5-3-14)19(20)21/h2-5,10-12H,6-9H2,1H3
InChIKeyXILNIISELZRESO-UHFFFAOYSA-N
MW286.34 g/mol
LogP2.71
Rot. Bonds3

About 4-(1-methylpyrazol-4-yl)-1-(4-nitrophenyl)piperidine

4-(1-methylpyrazol-4-yl)-1-(4-nitrophenyl)piperidine (PubChem CID 133300632) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 4-(1-methylpyrazol-4-yl)-1-(4-nitrophenyl)piperidine.

Molecular Properties

Compound Name4-(1-methylpyrazol-4-yl)-1-(4-nitrophenyl)piperidine
PubChem CID133300632
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name4-(1-methylpyrazol-4-yl)-1-(4-nitrophenyl)piperidine
SMILESCn1cc(C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cn1
InChIInChI=1S/C15H18N4O2/c1-17-11-13(10-16-17)12-6-8-18(9-7-12)14-2-4-15(5-3-14)19(20)21/h2-5,10-12H,6-9H2,1H3
InChIKeyXILNIISELZRESO-UHFFFAOYSA-N
XLogP2.71
TPSA64.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-ethylsulfonylphenyl)-4-(1-methylpyrazol-4-yl)piperidine
CID 91651135
4-(1-methylpyrazol-4-yl)-1-(2-nitrophenyl)piperidine
CID 133279989
4-methyl-6-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-(3-nitrophenyl)pyrimidine
CID 133300618
4-(4-nitrophenyl)-1-(1H-pyrazol-4-yl)piperidine
CID 154678488
4-(3-methylimidazol-4-yl)-1-(4-nitrophenyl)piperidine;4-[4-(3-methylimidazol-4-yl)piperidin-1-yl]aniline
CID 162068266
1-(4-nitrophenyl)piperidin-4-amine
CID 12050747
(2-hydroxy-4-nitrophenyl)-[(3R)-3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 99855955
1-(4-methylphenyl)-4-(4-nitrophenyl)piperazine
CID 12668784
ethane;2-[1-(4-nitrophenyl)piperidin-4-yl]propan-2-ol
CID 145201437
4-[(3R)-5-(4-iodophenyl)-2-(4-nitrophenyl)-3,4-dihydropyrazol-3-yl]-1-methylpyrazole
CID 51618536
1-(4-nitrophenyl)-4-pyrrolidin-1-ylpyrazole
CID 176615836
N-methyl-1-(4-nitrophenyl)-N-[(4-nitrophenyl)methyl]piperidin-4-amine
CID 19784343

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpyrazol-4-yl)-1-(4-nitrophenyl)piperidine?
The IUPAC name of 4-(1-methylpyrazol-4-yl)-1-(4-nitrophenyl)piperidine (CID 133300632) is 4-(1-methylpyrazol-4-yl)-1-(4-nitrophenyl)piperidine.
What is the SMILES notation for 4-(1-methylpyrazol-4-yl)-1-(4-nitrophenyl)piperidine?
The canonical SMILES for 4-(1-methylpyrazol-4-yl)-1-(4-nitrophenyl)piperidine is Cn1cc(C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cn1.
What is the InChIKey of 4-(1-methylpyrazol-4-yl)-1-(4-nitrophenyl)piperidine?
The InChIKey is XILNIISELZRESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-17-11-13(10-16-17)12-6-8-18(9-7-12)14-2-4-15(5-3-14)19(20)21/h2-5,10-12H,6-9H2,1H3.
What are the key properties of 4-(1-methylpyrazol-4-yl)-1-(4-nitrophenyl)piperidine?
4-(1-methylpyrazol-4-yl)-1-(4-nitrophenyl)piperidine has a molecular weight of 286.34 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpyrazol-4-yl)-1-(4-nitrophenyl)piperidine is sourced from PubChem (CID 133300632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).