2,2-dimethyl-1-(5-nitro-2,3-dihydro-1H-inden-2-yl)piperidine

C16H22N2O2 — CID 174733912

IUPAC2,2-dimethyl-1-(5-nitro-2,3-dihydro-1H-inden-2-yl)piperidine
SMILESCC1(C)CCCCN1C1Cc2ccc([N+](=O)[O-])cc2C1
InChIInChI=1S/C16H22N2O2/c1-16(2)7-3-4-8-17(16)15-9-12-5-6-14(18(19)20)10-13(12)11-15/h5-6,10,15H,3-4,7-9,11H2,1-2H3
InChIKeyIPWZSOLTSVZYIL-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.33
Rot. Bonds2

About 2,2-dimethyl-1-(5-nitro-2,3-dihydro-1H-inden-2-yl)piperidine

2,2-dimethyl-1-(5-nitro-2,3-dihydro-1H-inden-2-yl)piperidine (PubChem CID 174733912) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2,2-dimethyl-1-(5-nitro-2,3-dihydro-1H-inden-2-yl)piperidine.

Molecular Properties

Compound Name2,2-dimethyl-1-(5-nitro-2,3-dihydro-1H-inden-2-yl)piperidine
PubChem CID174733912
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2,2-dimethyl-1-(5-nitro-2,3-dihydro-1H-inden-2-yl)piperidine
SMILESCC1(C)CCCCN1C1Cc2ccc([N+](=O)[O-])cc2C1
InChIInChI=1S/C16H22N2O2/c1-16(2)7-3-4-8-17(16)15-9-12-5-6-14(18(19)20)10-13(12)11-15/h5-6,10,15H,3-4,7-9,11H2,1-2H3
InChIKeyIPWZSOLTSVZYIL-UHFFFAOYSA-N
XLogP3.33
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.33
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

2-[(2S)-5-nitro-2,3-dihydro-1H-inden-2-yl]isoindole-1,3-dione
CID 95608266
(2S)-5-nitro-2,3-dihydro-1H-inden-2-amine;hydrochloride
CID 56972107
4,4-dimethyl-7-nitro-2,3-dihydro-1H-naphthalene
CID 13463290
2-(1-methylpiperidin-4-yl)-6-nitro-3,4-dihydro-1H-isoquinoline
CID 175949801
(3R)-3-methyl-7-nitro-1,2,3,4-tetrahydroisoquinolin-2-ium
CID 132599419
2-(azetidin-1-yl)-5-nitrobenzaldehyde
CID 130156798
2-methyl-5-nitro-1,3-dihydroinden-2-ol
CID 58734212
6-nitro-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 86114706
3-nitrospiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,1'-cyclopropane]
CID 59218410
2-(5-nitro-2,3-dihydro-1H-inden-2-yl)ethyl acetate
CID 25139339
N-methyl-5-nitro-N-[2-(4-nitrophenyl)ethyl]-2,3-dihydro-1H-inden-2-amine
CID 14835241
1-(13-nitro-5-tricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaenyl)piperidine
CID 45277286

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(5-nitro-2,3-dihydro-1H-inden-2-yl)piperidine?
The IUPAC name of 2,2-dimethyl-1-(5-nitro-2,3-dihydro-1H-inden-2-yl)piperidine (CID 174733912) is 2,2-dimethyl-1-(5-nitro-2,3-dihydro-1H-inden-2-yl)piperidine.
What is the SMILES notation for 2,2-dimethyl-1-(5-nitro-2,3-dihydro-1H-inden-2-yl)piperidine?
The canonical SMILES for 2,2-dimethyl-1-(5-nitro-2,3-dihydro-1H-inden-2-yl)piperidine is CC1(C)CCCCN1C1Cc2ccc([N+](=O)[O-])cc2C1.
What is the InChIKey of 2,2-dimethyl-1-(5-nitro-2,3-dihydro-1H-inden-2-yl)piperidine?
The InChIKey is IPWZSOLTSVZYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-16(2)7-3-4-8-17(16)15-9-12-5-6-14(18(19)20)10-13(12)11-15/h5-6,10,15H,3-4,7-9,11H2,1-2H3.
What are the key properties of 2,2-dimethyl-1-(5-nitro-2,3-dihydro-1H-inden-2-yl)piperidine?
2,2-dimethyl-1-(5-nitro-2,3-dihydro-1H-inden-2-yl)piperidine has a molecular weight of 274.36 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(5-nitro-2,3-dihydro-1H-inden-2-yl)piperidine is sourced from PubChem (CID 174733912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).