N,N-dimethyl-2-[1-(5-nitro-2-pyridinyl)piperidin-4-yl]ethanamine

C14H22N4O2 — CID 59598057

IUPACN,N-dimethyl-2-[1-(5-nitro-2-pyridinyl)piperidin-4-yl]ethanamine
SMILESCN(C)CCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1
InChIInChI=1S/C14H22N4O2/c1-16(2)8-5-12-6-9-17(10-7-12)14-4-3-13(11-15-14)18(19)20/h3-4,11-12H,5-10H2,1-2H3
InChIKeyRSKWZPAKUOPQKV-UHFFFAOYSA-N
MW278.36 g/mol
LogP2.16
Rot. Bonds5

About N,N-dimethyl-2-[1-(5-nitro-2-pyridinyl)piperidin-4-yl]ethanamine

N,N-dimethyl-2-[1-(5-nitro-2-pyridinyl)piperidin-4-yl]ethanamine (PubChem CID 59598057) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N,N-dimethyl-2-[1-(5-nitro-2-pyridinyl)piperidin-4-yl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[1-(5-nitro-2-pyridinyl)piperidin-4-yl]ethanamine
PubChem CID59598057
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN,N-dimethyl-2-[1-(5-nitro-2-pyridinyl)piperidin-4-yl]ethanamine
SMILESCN(C)CCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1
InChIInChI=1S/C14H22N4O2/c1-16(2)8-5-12-6-9-17(10-7-12)14-4-3-13(11-15-14)18(19)20/h3-4,11-12H,5-10H2,1-2H3
InChIKeyRSKWZPAKUOPQKV-UHFFFAOYSA-N
XLogP2.16
TPSA62.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.16
H-Bond Donors ≤ 50
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

[1-(5-nitro-2-pyridinyl)pyrrolidin-3-yl]methanol
CID 62371884
N,N-dimethyl-2-[1-(2-methyl-4-nitrophenyl)piperidin-4-yl]ethanamine
CID 59597809
1-(5-nitro-2-pyridinyl)piperidine-4-carbaldehyde
CID 62663272
[1-(5-nitro-2-pyridinyl)piperidin-4-yl] propanoate
CID 91212834
1-ethyl-4-(5-nitro-2-pyridinyl)piperazine
CID 2848980
N-methyl-1-(5-nitro-2-pyridinyl)piperidine-4-carboxamide
CID 24567424
2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-5-nitropyridine
CID 133341964
2-[4-(1,3-dioxol-2-yl)piperidin-1-yl]-5-nitropyridine
CID 171780126
1-[1-(5-nitro-2-pyridinyl)pyrrolidin-3-yl]piperidin-4-amine
CID 80553412
4,4-dimethyl-1-(5-nitro-2-pyridinyl)azepane
CID 133323311
3-(5-nitro-2-pyridinyl)-3-azabicyclo[3.2.0]heptane
CID 66907896
tert-butyl N-[[(3R)-1-(5-nitro-2-pyridinyl)pyrrolidin-3-yl]methyl]carbamate
CID 97174632

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[1-(5-nitro-2-pyridinyl)piperidin-4-yl]ethanamine?
The IUPAC name of N,N-dimethyl-2-[1-(5-nitro-2-pyridinyl)piperidin-4-yl]ethanamine (CID 59598057) is N,N-dimethyl-2-[1-(5-nitro-2-pyridinyl)piperidin-4-yl]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[1-(5-nitro-2-pyridinyl)piperidin-4-yl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[1-(5-nitro-2-pyridinyl)piperidin-4-yl]ethanamine is CN(C)CCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1.
What is the InChIKey of N,N-dimethyl-2-[1-(5-nitro-2-pyridinyl)piperidin-4-yl]ethanamine?
The InChIKey is RSKWZPAKUOPQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-16(2)8-5-12-6-9-17(10-7-12)14-4-3-13(11-15-14)18(19)20/h3-4,11-12H,5-10H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[1-(5-nitro-2-pyridinyl)piperidin-4-yl]ethanamine?
N,N-dimethyl-2-[1-(5-nitro-2-pyridinyl)piperidin-4-yl]ethanamine has a molecular weight of 278.36 g/mol, XLogP of 2.16, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[1-(5-nitro-2-pyridinyl)piperidin-4-yl]ethanamine is sourced from PubChem (CID 59598057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).