N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-4-nitropyridin-2-amine

C14H22N4O2 — CID 90921952

IUPACN-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-4-nitropyridin-2-amine
SMILESCC1CCCC(C)N1CCNc1cc([N+](=O)[O-])ccn1
InChIInChI=1S/C14H22N4O2/c1-11-4-3-5-12(2)17(11)9-8-16-14-10-13(18(19)20)6-7-15-14/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,15,16)
InChIKeyOFDKQZGRZCABTN-UHFFFAOYSA-N
MW278.36 g/mol
LogP2.66
Rot. Bonds5

About N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-4-nitropyridin-2-amine

N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-4-nitropyridin-2-amine (PubChem CID 90921952) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-4-nitropyridin-2-amine.

Molecular Properties

Compound NameN-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-4-nitropyridin-2-amine
PubChem CID90921952
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-4-nitropyridin-2-amine
SMILESCC1CCCC(C)N1CCNc1cc([N+](=O)[O-])ccn1
InChIInChI=1S/C14H22N4O2/c1-11-4-3-5-12(2)17(11)9-8-16-14-10-13(18(19)20)6-7-15-14/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,15,16)
InChIKeyOFDKQZGRZCABTN-UHFFFAOYSA-N
XLogP2.66
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

5-Nitro-2-piperidinopyridine
CID 97158
5-Nitro-N-phenylpyridin-2-amine
CID 81268
2-Benzylamino-5-nitropyridine
CID 261542
2-(2,4-Dinitrophenyl)aminopyridine
CID 2834447
1-(3-Nitropyridin-2-yl)piperazine
CID 3778834
N-methyl-5-nitropyridin-2-amine
CID 265883
N-Methyl-3-nitro-2-pyridinamine
CID 556349
4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-(2-methylpropyl)pyridin-2-amine
CID 44547268
N-cyclopentyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine
CID 58227340
N,N-dimethyl-N'-(5-nitropyridin-2-yl)benzene-1,4-diamine
CID 3146301
N-methyl-5-nitro-N-(2-pyridin-2-ylethyl)pyridin-2-amine
CID 2848814
1-(5-Nitropyridin-2-yl)-4-phenylpiperazine
CID 2848979

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-4-nitropyridin-2-amine?
The IUPAC name of N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-4-nitropyridin-2-amine (CID 90921952) is N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-4-nitropyridin-2-amine.
What is the SMILES notation for N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-4-nitropyridin-2-amine?
The canonical SMILES for N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-4-nitropyridin-2-amine is CC1CCCC(C)N1CCNc1cc([N+](=O)[O-])ccn1.
What is the InChIKey of N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-4-nitropyridin-2-amine?
The InChIKey is OFDKQZGRZCABTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-11-4-3-5-12(2)17(11)9-8-16-14-10-13(18(19)20)6-7-15-14/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,15,16).
What are the key properties of N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-4-nitropyridin-2-amine?
N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-4-nitropyridin-2-amine has a molecular weight of 278.36 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-4-nitropyridin-2-amine is sourced from PubChem (CID 90921952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).