4,4-dimethyl-1-[(2-nitrophenyl)methyl]piperidine

C14H20N2O2 — CID 174618434

IUPAC4,4-dimethyl-1-[(2-nitrophenyl)methyl]piperidine
SMILESCC1(C)CCN(Cc2ccccc2[N+](=O)[O-])CC1
InChIInChI=1S/C14H20N2O2/c1-14(2)7-9-15(10-8-14)11-12-5-3-4-6-13(12)16(17)18/h3-6H,7-11H2,1-2H3
InChIKeyGAOAMKWEMWZYMR-UHFFFAOYSA-N
MW248.33 g/mol
LogP3.22
Rot. Bonds3

About 4,4-dimethyl-1-[(2-nitrophenyl)methyl]piperidine

4,4-dimethyl-1-[(2-nitrophenyl)methyl]piperidine (PubChem CID 174618434) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 4,4-dimethyl-1-[(2-nitrophenyl)methyl]piperidine.

Molecular Properties

Compound Name4,4-dimethyl-1-[(2-nitrophenyl)methyl]piperidine
PubChem CID174618434
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name4,4-dimethyl-1-[(2-nitrophenyl)methyl]piperidine
SMILESCC1(C)CCN(Cc2ccccc2[N+](=O)[O-])CC1
InChIInChI=1S/C14H20N2O2/c1-14(2)7-9-15(10-8-14)11-12-5-3-4-6-13(12)16(17)18/h3-6H,7-11H2,1-2H3
InChIKeyGAOAMKWEMWZYMR-UHFFFAOYSA-N
XLogP3.22
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 53.22
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-1-[(2-nitrophenyl)methyl]piperidin-4-ol
CID 80702501
1-[(2-nitrophenyl)methyl]piperidin-4-amine
CID 29009713
1-[(2-nitrophenyl)methyl]piperidin-4-amine;hydrochloride
CID 119908068
4-methyl-1-[(2-methyl-3-nitrophenyl)methyl]piperidine-4-carbonitrile
CID 103994058
5,5-dimethyl-3-[(2-nitrophenyl)methyl]-1,3-oxazolidine
CID 151165345
1-[(2-nitrophenyl)methyl]piperidine-4-carboxylic acid
CID 3450780
2-[(4,4-dimethylpiperidin-1-yl)methyl]phenol
CID 82979989
2-[(3,3-dimethylpyrrolidin-1-yl)methyl]-N-ethyl-6-nitroaniline
CID 107351459
(3R)-1-[(2-nitrophenyl)methyl]pyrrolidin-3-ol
CID 56790457
(3R)-1-[(2-nitrophenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119905304
N-methyl-1-[(2-nitrophenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119905707
1-[(4-methoxyphenyl)methyl]-4-[(2-nitrophenyl)methyl]piperazine
CID 9130212

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-[(2-nitrophenyl)methyl]piperidine?
The IUPAC name of 4,4-dimethyl-1-[(2-nitrophenyl)methyl]piperidine (CID 174618434) is 4,4-dimethyl-1-[(2-nitrophenyl)methyl]piperidine.
What is the SMILES notation for 4,4-dimethyl-1-[(2-nitrophenyl)methyl]piperidine?
The canonical SMILES for 4,4-dimethyl-1-[(2-nitrophenyl)methyl]piperidine is CC1(C)CCN(Cc2ccccc2[N+](=O)[O-])CC1.
What is the InChIKey of 4,4-dimethyl-1-[(2-nitrophenyl)methyl]piperidine?
The InChIKey is GAOAMKWEMWZYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-14(2)7-9-15(10-8-14)11-12-5-3-4-6-13(12)16(17)18/h3-6H,7-11H2,1-2H3.
What are the key properties of 4,4-dimethyl-1-[(2-nitrophenyl)methyl]piperidine?
4,4-dimethyl-1-[(2-nitrophenyl)methyl]piperidine has a molecular weight of 248.33 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-[(2-nitrophenyl)methyl]piperidine is sourced from PubChem (CID 174618434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).