1-[(4-chloro-3-nitrophenyl)methyl]-2,6-dimethylpiperidine

C14H19ClN2O2 — CID 43169156

IUPAC1-[(4-chloro-3-nitrophenyl)methyl]-2,6-dimethylpiperidine
SMILESCC1CCCC(C)N1Cc1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C14H19ClN2O2/c1-10-4-3-5-11(2)16(10)9-12-6-7-13(15)14(8-12)17(18)19/h6-8,10-11H,3-5,9H2,1-2H3
InChIKeyRIDDMPRHKRLLGQ-UHFFFAOYSA-N
MW282.77 g/mol
LogP4.01
Rot. Bonds3

About 1-[(4-chloro-3-nitrophenyl)methyl]-2,6-dimethylpiperidine

1-[(4-chloro-3-nitrophenyl)methyl]-2,6-dimethylpiperidine (PubChem CID 43169156) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 1-[(4-chloro-3-nitrophenyl)methyl]-2,6-dimethylpiperidine.

Molecular Properties

Compound Name1-[(4-chloro-3-nitrophenyl)methyl]-2,6-dimethylpiperidine
PubChem CID43169156
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name1-[(4-chloro-3-nitrophenyl)methyl]-2,6-dimethylpiperidine
SMILESCC1CCCC(C)N1Cc1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C14H19ClN2O2/c1-10-4-3-5-11(2)16(10)9-12-6-7-13(15)14(8-12)17(18)19/h6-8,10-11H,3-5,9H2,1-2H3
InChIKeyRIDDMPRHKRLLGQ-UHFFFAOYSA-N
XLogP4.01
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 ≤ 54.01
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-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-2-nitrophenyl]hydrazine
CID 104968907
4-[(4-chloro-3-nitrophenyl)methyl]-1,2-dimethylpiperazine
CID 63610531
[1-[(4-chloro-3-nitrophenyl)methyl]pyrrolidin-2-yl]methanamine
CID 113335455
[1-[(4-chloro-3-nitrophenyl)methyl]piperidin-2-yl]methanol
CID 61406447
methyl 1-[(4-chloro-3-nitrophenyl)methyl]pyrrolidine-2-carboxylate
CID 43648298
2-[(4-chloro-3-nitrophenyl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
CID 43620358
[1-[(4-chloro-3-nitrophenyl)methyl]azepan-2-yl]methanol
CID 116634418
(4-chloro-3-nitrophenyl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 6941661
1-[(4-chloro-3-nitrophenyl)methyl]-3-methylpiperazine
CID 113335445
4-[(4-chloro-3-nitrophenyl)methyl]-2-methylmorpholine
CID 43350266
2-[(2,6-dimethylpiperidin-1-yl)methyl]-6-nitroaniline
CID 107350725
1-[(4-chloro-3-nitrophenyl)methyl]-3-(methoxymethyl)pyrrolidine
CID 64569921

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-3-nitrophenyl)methyl]-2,6-dimethylpiperidine?
The IUPAC name of 1-[(4-chloro-3-nitrophenyl)methyl]-2,6-dimethylpiperidine (CID 43169156) is 1-[(4-chloro-3-nitrophenyl)methyl]-2,6-dimethylpiperidine.
What is the SMILES notation for 1-[(4-chloro-3-nitrophenyl)methyl]-2,6-dimethylpiperidine?
The canonical SMILES for 1-[(4-chloro-3-nitrophenyl)methyl]-2,6-dimethylpiperidine is CC1CCCC(C)N1Cc1ccc(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of 1-[(4-chloro-3-nitrophenyl)methyl]-2,6-dimethylpiperidine?
The InChIKey is RIDDMPRHKRLLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-10-4-3-5-11(2)16(10)9-12-6-7-13(15)14(8-12)17(18)19/h6-8,10-11H,3-5,9H2,1-2H3.
What are the key properties of 1-[(4-chloro-3-nitrophenyl)methyl]-2,6-dimethylpiperidine?
1-[(4-chloro-3-nitrophenyl)methyl]-2,6-dimethylpiperidine has a molecular weight of 282.77 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-3-nitrophenyl)methyl]-2,6-dimethylpiperidine is sourced from PubChem (CID 43169156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).