1-[(2-chloro-5-nitrophenyl)methyl]-2,4-dimethylpiperidine

C14H19ClN2O2 — CID 62329976

IUPAC1-[(2-chloro-5-nitrophenyl)methyl]-2,4-dimethylpiperidine
SMILESCC1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)C(C)C1
InChIInChI=1S/C14H19ClN2O2/c1-10-5-6-16(11(2)7-10)9-12-8-13(17(18)19)3-4-14(12)15/h3-4,8,10-11H,5-7,9H2,1-2H3
InChIKeyRXFNYGXGSFQGGS-UHFFFAOYSA-N
MW282.77 g/mol
LogP3.87
Rot. Bonds3

About 1-[(2-chloro-5-nitrophenyl)methyl]-2,4-dimethylpiperidine

1-[(2-chloro-5-nitrophenyl)methyl]-2,4-dimethylpiperidine (PubChem CID 62329976) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 1-[(2-chloro-5-nitrophenyl)methyl]-2,4-dimethylpiperidine.

Molecular Properties

Compound Name1-[(2-chloro-5-nitrophenyl)methyl]-2,4-dimethylpiperidine
PubChem CID62329976
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name1-[(2-chloro-5-nitrophenyl)methyl]-2,4-dimethylpiperidine
SMILESCC1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)C(C)C1
InChIInChI=1S/C14H19ClN2O2/c1-10-5-6-16(11(2)7-10)9-12-8-13(17(18)19)3-4-14(12)15/h3-4,8,10-11H,5-7,9H2,1-2H3
InChIKeyRXFNYGXGSFQGGS-UHFFFAOYSA-N
XLogP3.87
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 53.87
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-[(2,4-dimethylpiperidin-1-yl)methyl]-4-nitroaniline
CID 62332198
N-[(2-chloro-5-nitrophenyl)methyl]-N,3-dimethylcyclohexan-1-amine
CID 61448511
1-[(2-chloro-5-nitrophenyl)methyl]pyrrolidine-2-carboxamide
CID 43169162
1-[(2-chloro-5-nitrophenyl)methyl]piperidine
CID 43350269
N-[(2-chloro-5-nitrophenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 63994852
4-[(2-chloro-5-nitrophenyl)methyl]-3-ethylmorpholine
CID 43613129
4-chloro-2-[(2,4-dimethylpiperidin-1-yl)methyl]aniline
CID 79582479
1-[(2-chloro-5-nitrophenyl)methyl]-5-methylpiperidine-3-carboxylic acid
CID 122121261
1-[(2-chloro-5-nitrophenyl)methyl]pyrrolidine-2,5-dione
CID 43169169
[4-methyl-1-[(4-nitrophenyl)methyl]piperidin-2-yl]methanamine
CID 103440433
1-[(2-chloro-5-nitrophenyl)methyl]-4-methyl-1,4-diazepane
CID 2838717
4-[(2-chloro-5-nitrophenyl)methyl]-3-ethylpiperazine-2,6-dione
CID 66068884

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-5-nitrophenyl)methyl]-2,4-dimethylpiperidine?
The IUPAC name of 1-[(2-chloro-5-nitrophenyl)methyl]-2,4-dimethylpiperidine (CID 62329976) is 1-[(2-chloro-5-nitrophenyl)methyl]-2,4-dimethylpiperidine.
What is the SMILES notation for 1-[(2-chloro-5-nitrophenyl)methyl]-2,4-dimethylpiperidine?
The canonical SMILES for 1-[(2-chloro-5-nitrophenyl)methyl]-2,4-dimethylpiperidine is CC1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)C(C)C1.
What is the InChIKey of 1-[(2-chloro-5-nitrophenyl)methyl]-2,4-dimethylpiperidine?
The InChIKey is RXFNYGXGSFQGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-10-5-6-16(11(2)7-10)9-12-8-13(17(18)19)3-4-14(12)15/h3-4,8,10-11H,5-7,9H2,1-2H3.
What are the key properties of 1-[(2-chloro-5-nitrophenyl)methyl]-2,4-dimethylpiperidine?
1-[(2-chloro-5-nitrophenyl)methyl]-2,4-dimethylpiperidine has a molecular weight of 282.77 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-5-nitrophenyl)methyl]-2,4-dimethylpiperidine is sourced from PubChem (CID 62329976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).