4-methyl-1-(4-nitro-2,3-dihydro-1H-inden-1-yl)piperidine

C15H20N2O2 — CID 165486714

IUPAC4-methyl-1-(4-nitro-2,3-dihydro-1H-inden-1-yl)piperidine
SMILESCC1CCN(C2CCc3c2cccc3[N+](=O)[O-])CC1
InChIInChI=1S/C15H20N2O2/c1-11-7-9-16(10-8-11)14-6-5-13-12(14)3-2-4-15(13)17(18)19/h2-4,11,14H,5-10H2,1H3
InChIKeyBXDMROUETBPIOR-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.31
Rot. Bonds2

About 4-methyl-1-(4-nitro-2,3-dihydro-1H-inden-1-yl)piperidine

4-methyl-1-(4-nitro-2,3-dihydro-1H-inden-1-yl)piperidine (PubChem CID 165486714) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-methyl-1-(4-nitro-2,3-dihydro-1H-inden-1-yl)piperidine.

Molecular Properties

Compound Name4-methyl-1-(4-nitro-2,3-dihydro-1H-inden-1-yl)piperidine
PubChem CID165486714
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name4-methyl-1-(4-nitro-2,3-dihydro-1H-inden-1-yl)piperidine
SMILESCC1CCN(C2CCc3c2cccc3[N+](=O)[O-])CC1
InChIInChI=1S/C15H20N2O2/c1-11-7-9-16(10-8-11)14-6-5-13-12(14)3-2-4-15(13)17(18)19/h2-4,11,14H,5-10H2,1H3
InChIKeyBXDMROUETBPIOR-UHFFFAOYSA-N
XLogP3.31
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.31
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'}

Analyze 4-methyl-1-(4-nitro-2,3-dihydro-1H-inden-1-yl)piperidine 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

(1R)-1-methyl-5-nitro-1,2,3,4-tetrahydroisoquinoline
CID 130704024
1-[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]-4-(4-nitrophenyl)piperazine
CID 95786387
4-methyl-1-(2-methyl-3-nitrophenyl)sulfonylpiperidine
CID 35295727
4-nitro-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine
CID 86600499
2-(4-nitro-2,3-dihydro-1H-inden-1-yl)-8-(trifluoromethyl)-4,5-dihydro-3H-1λ6,2-benzothiazepine 1,1-dioxide
CID 163551372
4-nitro-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 86600498
(6aS)-11-chloro-7-methyl-4-nitro-5,6,6a,8,9,13b-hexahydronaphtho[1,2-a][3]benzazepin-12-ol
CID 143031206
1-(1,1-dibromoprop-1-en-2-yl)-5-nitro-1,2,3,4-tetrahydronaphthalene
CID 89063950
1-(3-methylpiperidin-1-yl)-2,3-dihydro-1H-inden-4-ol
CID 82974804
(4-methylpiperidin-1-yl)-(3-nitrophenyl)methanone
CID 711512
1-(3-ethylpent-2-en-2-yl)-5-nitro-1,2,3,4-tetrahydronaphthalene
CID 70821643
3-methyl-5-nitro-3,4-dihydro-2H-naphthalen-1-one
CID 22719036

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(4-nitro-2,3-dihydro-1H-inden-1-yl)piperidine?
The IUPAC name of 4-methyl-1-(4-nitro-2,3-dihydro-1H-inden-1-yl)piperidine (CID 165486714) is 4-methyl-1-(4-nitro-2,3-dihydro-1H-inden-1-yl)piperidine.
What is the SMILES notation for 4-methyl-1-(4-nitro-2,3-dihydro-1H-inden-1-yl)piperidine?
The canonical SMILES for 4-methyl-1-(4-nitro-2,3-dihydro-1H-inden-1-yl)piperidine is CC1CCN(C2CCc3c2cccc3[N+](=O)[O-])CC1.
What is the InChIKey of 4-methyl-1-(4-nitro-2,3-dihydro-1H-inden-1-yl)piperidine?
The InChIKey is BXDMROUETBPIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-11-7-9-16(10-8-11)14-6-5-13-12(14)3-2-4-15(13)17(18)19/h2-4,11,14H,5-10H2,1H3.
What are the key properties of 4-methyl-1-(4-nitro-2,3-dihydro-1H-inden-1-yl)piperidine?
4-methyl-1-(4-nitro-2,3-dihydro-1H-inden-1-yl)piperidine has a molecular weight of 260.34 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(4-nitro-2,3-dihydro-1H-inden-1-yl)piperidine is sourced from PubChem (CID 165486714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).