3-methyl-1-(2-nitroethyl)piperidine

C8H16N2O2 — CID 131176318

IUPAC3-methyl-1-(2-nitroethyl)piperidine
SMILESCC1CCCN(CC[N+](=O)[O-])C1
InChIInChI=1S/C8H16N2O2/c1-8-3-2-4-9(7-8)5-6-10(11)12/h8H,2-7H2,1H3
InChIKeyQCRGQHAQVBVSPB-UHFFFAOYSA-N
MW172.23 g/mol
LogP1.00
Rot. Bonds3

About 3-methyl-1-(2-nitroethyl)piperidine

3-methyl-1-(2-nitroethyl)piperidine (PubChem CID 131176318) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 3-methyl-1-(2-nitroethyl)piperidine.

Molecular Properties

Compound Name3-methyl-1-(2-nitroethyl)piperidine
PubChem CID131176318
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name3-methyl-1-(2-nitroethyl)piperidine
SMILESCC1CCCN(CC[N+](=O)[O-])C1
InChIInChI=1S/C8H16N2O2/c1-8-3-2-4-9(7-8)5-6-10(11)12/h8H,2-7H2,1H3
InChIKeyQCRGQHAQVBVSPB-UHFFFAOYSA-N
XLogP1.00
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 51.00
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

ethane;3-methyl-1-propylpiperidine
CID 156729460
3-methyl-1-propylpiperidine;propane
CID 145147959
3-[(3R)-3-methylpiperidin-1-yl]propanoic acid
CID 7258528
3-methyl-1-(2-methylsulfinylethyl)piperidine
CID 170021335
1-(3-fluoropropyl)-3-methylpiperidine
CID 127497514
1-(3,3-difluoropropyl)-3-methylpiperidine
CID 176946116
1-butyl-3-methylpiperidine;ethane
CID 143349503
3-methyl-1-(3,3,3-trifluoropropyl)piperidine
CID 77147847
ethane;1-ethyl-3-methylpiperidine
CID 91361629
3-(3-methylpiperidin-1-yl)propane-1-sulfonyl chloride
CID 102548987
(3S)-1-[2-(3-methoxyazetidin-1-yl)ethyl]-3-methylpiperidine
CID 66580780
N,N-diethyl-2-(3-methylpiperidin-1-yl)ethanamine
CID 123857151

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-nitroethyl)piperidine?
The IUPAC name of 3-methyl-1-(2-nitroethyl)piperidine (CID 131176318) is 3-methyl-1-(2-nitroethyl)piperidine.
What is the SMILES notation for 3-methyl-1-(2-nitroethyl)piperidine?
The canonical SMILES for 3-methyl-1-(2-nitroethyl)piperidine is CC1CCCN(CC[N+](=O)[O-])C1.
What is the InChIKey of 3-methyl-1-(2-nitroethyl)piperidine?
The InChIKey is QCRGQHAQVBVSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-8-3-2-4-9(7-8)5-6-10(11)12/h8H,2-7H2,1H3.
What are the key properties of 3-methyl-1-(2-nitroethyl)piperidine?
3-methyl-1-(2-nitroethyl)piperidine has a molecular weight of 172.23 g/mol, XLogP of 1.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-nitroethyl)piperidine is sourced from PubChem (CID 131176318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).