N,N-dimethyl-1-[5-nitro-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]piperidin-4-amine

C14H19F3N4O3 — CID 141419210

IUPACN,N-dimethyl-1-[5-nitro-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]piperidin-4-amine
SMILESCN(C)C1CCN(c2ccc([N+](=O)[O-])c(OCC(F)(F)F)n2)CC1
InChIInChI=1S/C14H19F3N4O3/c1-19(2)10-5-7-20(8-6-10)12-4-3-11(21(22)23)13(18-12)24-9-14(15,16)17/h3-4,10H,5-9H2,1-2H3
InChIKeyZHQOGPZJOKRQGW-UHFFFAOYSA-N
MW348.33 g/mol
LogP2.46
Rot. Bonds5

About N,N-dimethyl-1-[5-nitro-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]piperidin-4-amine

N,N-dimethyl-1-[5-nitro-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]piperidin-4-amine (PubChem CID 141419210) has the molecular formula C14H19F3N4O3 and a molecular weight of 348.33 g/mol. Its IUPAC name is N,N-dimethyl-1-[5-nitro-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]piperidin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[5-nitro-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]piperidin-4-amine
PubChem CID141419210
Molecular FormulaC14H19F3N4O3
Molecular Weight348.33 g/mol
Exact Mass348.14
IUPAC NameN,N-dimethyl-1-[5-nitro-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]piperidin-4-amine
SMILESCN(C)C1CCN(c2ccc([N+](=O)[O-])c(OCC(F)(F)F)n2)CC1
InChIInChI=1S/C14H19F3N4O3/c1-19(2)10-5-7-20(8-6-10)12-4-3-11(21(22)23)13(18-12)24-9-14(15,16)17/h3-4,10H,5-9H2,1-2H3
InChIKeyZHQOGPZJOKRQGW-UHFFFAOYSA-N
XLogP2.46
TPSA71.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.33
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[5-nitro-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]piperidin-4-amine?
The IUPAC name of N,N-dimethyl-1-[5-nitro-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]piperidin-4-amine (CID 141419210) is N,N-dimethyl-1-[5-nitro-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]piperidin-4-amine.
What is the SMILES notation for N,N-dimethyl-1-[5-nitro-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]piperidin-4-amine?
The canonical SMILES for N,N-dimethyl-1-[5-nitro-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]piperidin-4-amine is CN(C)C1CCN(c2ccc([N+](=O)[O-])c(OCC(F)(F)F)n2)CC1.
What is the InChIKey of N,N-dimethyl-1-[5-nitro-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]piperidin-4-amine?
The InChIKey is ZHQOGPZJOKRQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N4O3/c1-19(2)10-5-7-20(8-6-10)12-4-3-11(21(22)23)13(18-12)24-9-14(15,16)17/h3-4,10H,5-9H2,1-2H3.
What are the key properties of N,N-dimethyl-1-[5-nitro-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]piperidin-4-amine?
N,N-dimethyl-1-[5-nitro-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]piperidin-4-amine has a molecular weight of 348.33 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[5-nitro-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]piperidin-4-amine is sourced from PubChem (CID 141419210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).