N-ethyl-N-(4-methyl-2-nitrophenyl)piperidin-3-amine

C14H21N3O2 — CID 63636312

IUPACN-ethyl-N-(4-methyl-2-nitrophenyl)piperidin-3-amine
SMILESCCN(c1ccc(C)cc1[N+](=O)[O-])C1CCCNC1
InChIInChI=1S/C14H21N3O2/c1-3-16(12-5-4-8-15-10-12)13-7-6-11(2)9-14(13)17(18)19/h6-7,9,12,15H,3-5,8,10H2,1-2H3
InChIKeyCNLORCNRBJABLG-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.48
Rot. Bonds4

About N-ethyl-N-(4-methyl-2-nitrophenyl)piperidin-3-amine

N-ethyl-N-(4-methyl-2-nitrophenyl)piperidin-3-amine (PubChem CID 63636312) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-ethyl-N-(4-methyl-2-nitrophenyl)piperidin-3-amine.

Molecular Properties

Compound NameN-ethyl-N-(4-methyl-2-nitrophenyl)piperidin-3-amine
PubChem CID63636312
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-ethyl-N-(4-methyl-2-nitrophenyl)piperidin-3-amine
SMILESCCN(c1ccc(C)cc1[N+](=O)[O-])C1CCCNC1
InChIInChI=1S/C14H21N3O2/c1-3-16(12-5-4-8-15-10-12)13-7-6-11(2)9-14(13)17(18)19/h6-7,9,12,15H,3-5,8,10H2,1-2H3
InChIKeyCNLORCNRBJABLG-UHFFFAOYSA-N
XLogP2.48
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.48
H-Bond Donors ≤ 51
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

N-ethyl-3-nitro-N-piperidin-3-ylpyridin-4-amine
CID 63638439
N-(5-bromo-2-nitrophenyl)-N-ethylpiperidin-3-amine
CID 65343726
2-[ethyl(piperidin-3-yl)amino]-5-methylbenzonitrile
CID 114017453
N-(4-methoxy-2-nitrophenyl)-N-propylpiperidin-3-amine
CID 63636836
4-[ethyl(pyrrolidin-3-yl)amino]-3-nitrobenzamide
CID 63299887
4-[ethyl(pyrrolidin-3-yl)amino]-N-methyl-3-nitrobenzamide
CID 82992888
N-ethyl-N-(3-methoxy-4-nitrophenyl)piperidin-3-amine
CID 63670184
N-(4-fluoro-5-methyl-2-nitrophenyl)-N-propylpiperidin-3-amine
CID 103594171
N-cyclohexyl-N-ethyl-2,4-dinitroaniline
CID 9282678
5-bromo-N-ethyl-3-nitro-N-piperidin-3-ylpyridin-2-amine
CID 63638104
N-(4-bromo-2-nitrophenyl)-N-methylpiperidin-3-amine
CID 63643232
N-ethyl-4-methyl-2-nitro-N-(piperidin-4-ylmethyl)aniline
CID 79719675

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(4-methyl-2-nitrophenyl)piperidin-3-amine?
The IUPAC name of N-ethyl-N-(4-methyl-2-nitrophenyl)piperidin-3-amine (CID 63636312) is N-ethyl-N-(4-methyl-2-nitrophenyl)piperidin-3-amine.
What is the SMILES notation for N-ethyl-N-(4-methyl-2-nitrophenyl)piperidin-3-amine?
The canonical SMILES for N-ethyl-N-(4-methyl-2-nitrophenyl)piperidin-3-amine is CCN(c1ccc(C)cc1[N+](=O)[O-])C1CCCNC1.
What is the InChIKey of N-ethyl-N-(4-methyl-2-nitrophenyl)piperidin-3-amine?
The InChIKey is CNLORCNRBJABLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-3-16(12-5-4-8-15-10-12)13-7-6-11(2)9-14(13)17(18)19/h6-7,9,12,15H,3-5,8,10H2,1-2H3.
What are the key properties of N-ethyl-N-(4-methyl-2-nitrophenyl)piperidin-3-amine?
N-ethyl-N-(4-methyl-2-nitrophenyl)piperidin-3-amine has a molecular weight of 263.34 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(4-methyl-2-nitrophenyl)piperidin-3-amine is sourced from PubChem (CID 63636312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).