4-(4-methylphenyl)-1-[(3-nitrophenyl)methyl]piperidine

C19H22N2O2 — CID 140984841

IUPAC4-(4-methylphenyl)-1-[(3-nitrophenyl)methyl]piperidine
SMILESCc1ccc(C2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)cc1
InChIInChI=1S/C19H22N2O2/c1-15-5-7-17(8-6-15)18-9-11-20(12-10-18)14-16-3-2-4-19(13-16)21(22)23/h2-8,13,18H,9-12,14H2,1H3
InChIKeyPSKVWYYHYMLIOU-UHFFFAOYSA-N
MW310.40 g/mol
LogP4.28
Rot. Bonds4

About 4-(4-methylphenyl)-1-[(3-nitrophenyl)methyl]piperidine

4-(4-methylphenyl)-1-[(3-nitrophenyl)methyl]piperidine (PubChem CID 140984841) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 4-(4-methylphenyl)-1-[(3-nitrophenyl)methyl]piperidine.

Molecular Properties

Compound Name4-(4-methylphenyl)-1-[(3-nitrophenyl)methyl]piperidine
PubChem CID140984841
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name4-(4-methylphenyl)-1-[(3-nitrophenyl)methyl]piperidine
SMILESCc1ccc(C2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)cc1
InChIInChI=1S/C19H22N2O2/c1-15-5-7-17(8-6-15)18-9-11-20(12-10-18)14-16-3-2-4-19(13-16)21(22)23/h2-8,13,18H,9-12,14H2,1H3
InChIKeyPSKVWYYHYMLIOU-UHFFFAOYSA-N
XLogP4.28
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

4-methyl-N-(4-methylphenyl)-N-[1-[(3-nitrophenyl)methyl]piperidin-4-yl]benzamide
CID 42853358
1-(4-methylphenyl)sulfonyl-4-[(3-nitrophenyl)methyl]piperazine
CID 1364878
2-methoxy-N-(4-methylphenyl)-N-[1-[(3-nitrophenyl)methyl]piperidin-4-yl]acetamide
CID 42853363
1-[1-[(3-nitrophenyl)methyl]piperidin-4-yl]ethanamine;hydrochloride
CID 119920498
N-methyl-1-[1-[(3-nitrophenyl)methyl]piperidin-4-yl]methanamine;hydrochloride
CID 119922248
4-fluoro-N-(4-methylphenyl)-N-[1-[(3-nitrophenyl)methyl]piperidin-4-yl]benzamide
CID 46048142
1-benzyl-N-[(3-nitrophenyl)methyl]piperidin-4-amine
CID 17159259
2-methoxy-N-(4-methylphenyl)-N-[1-[(3-nitrophenyl)methyl]piperidin-4-yl]benzamide
CID 46048214
4-methyl-1-[(3-nitrophenyl)methyl]piperidin-4-ol
CID 80702376
1-[(3,5-dimethoxyphenyl)methyl]-4-[(3-nitrophenyl)methyl]piperazine
CID 1126227
2-methyl-1-[4-[(3-nitrophenyl)methyl]piperazin-1-yl]propan-2-ol
CID 63101709
4-(3-methylphenyl)-1-[(4-methylphenyl)methyl]piperidine
CID 143844353

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-1-[(3-nitrophenyl)methyl]piperidine?
The IUPAC name of 4-(4-methylphenyl)-1-[(3-nitrophenyl)methyl]piperidine (CID 140984841) is 4-(4-methylphenyl)-1-[(3-nitrophenyl)methyl]piperidine.
What is the SMILES notation for 4-(4-methylphenyl)-1-[(3-nitrophenyl)methyl]piperidine?
The canonical SMILES for 4-(4-methylphenyl)-1-[(3-nitrophenyl)methyl]piperidine is Cc1ccc(C2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)cc1.
What is the InChIKey of 4-(4-methylphenyl)-1-[(3-nitrophenyl)methyl]piperidine?
The InChIKey is PSKVWYYHYMLIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-15-5-7-17(8-6-15)18-9-11-20(12-10-18)14-16-3-2-4-19(13-16)21(22)23/h2-8,13,18H,9-12,14H2,1H3.
What are the key properties of 4-(4-methylphenyl)-1-[(3-nitrophenyl)methyl]piperidine?
4-(4-methylphenyl)-1-[(3-nitrophenyl)methyl]piperidine has a molecular weight of 310.40 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-1-[(3-nitrophenyl)methyl]piperidine is sourced from PubChem (CID 140984841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).