N-methyl-1-[2-(2-nitrophenoxy)ethyl]piperidin-3-amine

C14H21N3O3 — CID 119918903

IUPACN-methyl-1-[2-(2-nitrophenoxy)ethyl]piperidin-3-amine
SMILESCNC1CCCN(CCOc2ccccc2[N+](=O)[O-])C1
InChIInChI=1S/C14H21N3O3/c1-15-12-5-4-8-16(11-12)9-10-20-14-7-3-2-6-13(14)17(18)19/h2-3,6-7,12,15H,4-5,8-11H2,1H3
InChIKeyFOMWQEODLUSPJF-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.66
Rot. Bonds6

About N-methyl-1-[2-(2-nitrophenoxy)ethyl]piperidin-3-amine

N-methyl-1-[2-(2-nitrophenoxy)ethyl]piperidin-3-amine (PubChem CID 119918903) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-methyl-1-[2-(2-nitrophenoxy)ethyl]piperidin-3-amine.

Molecular Properties

Compound NameN-methyl-1-[2-(2-nitrophenoxy)ethyl]piperidin-3-amine
PubChem CID119918903
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC NameN-methyl-1-[2-(2-nitrophenoxy)ethyl]piperidin-3-amine
SMILESCNC1CCCN(CCOc2ccccc2[N+](=O)[O-])C1
InChIInChI=1S/C14H21N3O3/c1-15-12-5-4-8-16(11-12)9-10-20-14-7-3-2-6-13(14)17(18)19/h2-3,6-7,12,15H,4-5,8-11H2,1H3
InChIKeyFOMWQEODLUSPJF-UHFFFAOYSA-N
XLogP1.66
TPSA67.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.66
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

1-[2-(2-methoxyphenoxy)ethyl]-N-methylpyrrolidin-3-amine;hydrochloride
CID 119905906
(3R)-3-methyl-1-[2-(4-methyl-2-nitrophenoxy)ethyl]piperidine
CID 893227
N-[(3S)-1-[2-(2-bromophenoxy)ethyl]piperidin-3-yl]acetamide
CID 97159907
3-[3-(methylamino)piperidin-1-yl]-N-(2-methyl-3-nitrophenyl)propanamide;hydrochloride
CID 119919127
N-butyl-1-[2-(2-nitrophenoxy)ethyl]piperidine-4-carboxamide
CID 87012607
2-(5-methylthiophen-2-yl)-1-[2-(2-nitrophenoxy)ethyl]pyrrolidine
CID 86953318
1-[4-(methylamino)piperidin-1-yl]-2-(2-nitrophenoxy)ethanone;hydrochloride
CID 119561422
1-(3-aminopiperidin-1-yl)-3-(2-nitrophenoxy)propan-1-one;hydrochloride
CID 119379852
N-methyl-1-[(2-nitrophenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119905707
6,7-dimethoxy-2-[2-(2-nitrophenoxy)ethyl]-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 53390918
4-[3-(2-nitrophenoxy)propyl]morpholine
CID 2232477
1-[2-(2-methoxyphenoxy)ethyl]piperidin-3-amine;hydrochloride
CID 119910302

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(2-nitrophenoxy)ethyl]piperidin-3-amine?
The IUPAC name of N-methyl-1-[2-(2-nitrophenoxy)ethyl]piperidin-3-amine (CID 119918903) is N-methyl-1-[2-(2-nitrophenoxy)ethyl]piperidin-3-amine.
What is the SMILES notation for N-methyl-1-[2-(2-nitrophenoxy)ethyl]piperidin-3-amine?
The canonical SMILES for N-methyl-1-[2-(2-nitrophenoxy)ethyl]piperidin-3-amine is CNC1CCCN(CCOc2ccccc2[N+](=O)[O-])C1.
What is the InChIKey of N-methyl-1-[2-(2-nitrophenoxy)ethyl]piperidin-3-amine?
The InChIKey is FOMWQEODLUSPJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-15-12-5-4-8-16(11-12)9-10-20-14-7-3-2-6-13(14)17(18)19/h2-3,6-7,12,15H,4-5,8-11H2,1H3.
What are the key properties of N-methyl-1-[2-(2-nitrophenoxy)ethyl]piperidin-3-amine?
N-methyl-1-[2-(2-nitrophenoxy)ethyl]piperidin-3-amine has a molecular weight of 279.34 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(2-nitrophenoxy)ethyl]piperidin-3-amine is sourced from PubChem (CID 119918903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).