1-(3-chloro-2-nitrophenyl)-N,N-dimethylpiperidin-4-amine

C13H18ClN3O2 — CID 104838828

IUPAC1-(3-chloro-2-nitrophenyl)-N,N-dimethylpiperidin-4-amine
SMILESCN(C)C1CCN(c2cccc(Cl)c2[N+](=O)[O-])CC1
InChIInChI=1S/C13H18ClN3O2/c1-15(2)10-6-8-16(9-7-10)12-5-3-4-11(14)13(12)17(18)19/h3-5,10H,6-9H2,1-2H3
InChIKeyORJWEKSGSDIJQK-UHFFFAOYSA-N
MW283.76 g/mol
LogP2.78
Rot. Bonds3

About 1-(3-chloro-2-nitrophenyl)-N,N-dimethylpiperidin-4-amine

1-(3-chloro-2-nitrophenyl)-N,N-dimethylpiperidin-4-amine (PubChem CID 104838828) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is 1-(3-chloro-2-nitrophenyl)-N,N-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-(3-chloro-2-nitrophenyl)-N,N-dimethylpiperidin-4-amine
PubChem CID104838828
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC Name1-(3-chloro-2-nitrophenyl)-N,N-dimethylpiperidin-4-amine
SMILESCN(C)C1CCN(c2cccc(Cl)c2[N+](=O)[O-])CC1
InChIInChI=1S/C13H18ClN3O2/c1-15(2)10-6-8-16(9-7-10)12-5-3-4-11(14)13(12)17(18)19/h3-5,10H,6-9H2,1-2H3
InChIKeyORJWEKSGSDIJQK-UHFFFAOYSA-N
XLogP2.78
TPSA49.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

1-(3-chloro-2-nitrophenyl)-N-methylpyrrolidin-3-amine
CID 104839441
4-(3-chloro-2-nitrophenyl)-1,4-thiazinane 1-oxide
CID 104838904
1-(3-chloro-2-nitrophenyl)-4-methylsulfonylpiperazine
CID 104839007
[1-(3-chloro-2-nitrophenyl)pyrrolidin-3-yl]methanol
CID 104839141
1-(3-chloro-2-nitrophenyl)-3-(trifluoromethyl)pyrrolidine
CID 114271952
2-[1-(3-chloro-2-nitrophenyl)piperidin-4-yl]oxyethanol
CID 104839124
N,N-dimethyl-1-[3-(methylamino)-2-nitrophenyl]pyrrolidin-3-amine
CID 80828406
N,N-dimethyl-1-(4-methyl-2-nitrophenyl)piperidin-4-amine
CID 134485466
2-[1-(3-chloro-2-nitrophenyl)pyrrolidin-3-yl]ethanol
CID 114799159
N,N-dimethyl-1-(2-nitro-3-pyridinyl)piperidin-4-amine
CID 86811030
4-(3-chloro-2-nitrophenyl)-2-methylmorpholine
CID 104838773
N,N-dimethyl-1-(3-nitrophenyl)piperidin-4-amine
CID 59597620

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-nitrophenyl)-N,N-dimethylpiperidin-4-amine?
The IUPAC name of 1-(3-chloro-2-nitrophenyl)-N,N-dimethylpiperidin-4-amine (CID 104838828) is 1-(3-chloro-2-nitrophenyl)-N,N-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-(3-chloro-2-nitrophenyl)-N,N-dimethylpiperidin-4-amine?
The canonical SMILES for 1-(3-chloro-2-nitrophenyl)-N,N-dimethylpiperidin-4-amine is CN(C)C1CCN(c2cccc(Cl)c2[N+](=O)[O-])CC1.
What is the InChIKey of 1-(3-chloro-2-nitrophenyl)-N,N-dimethylpiperidin-4-amine?
The InChIKey is ORJWEKSGSDIJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2/c1-15(2)10-6-8-16(9-7-10)12-5-3-4-11(14)13(12)17(18)19/h3-5,10H,6-9H2,1-2H3.
What are the key properties of 1-(3-chloro-2-nitrophenyl)-N,N-dimethylpiperidin-4-amine?
1-(3-chloro-2-nitrophenyl)-N,N-dimethylpiperidin-4-amine has a molecular weight of 283.76 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-nitrophenyl)-N,N-dimethylpiperidin-4-amine is sourced from PubChem (CID 104838828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).