N,1-dimethyl-N-[[5-(2-nitrophenyl)furan-2-yl]methyl]piperidin-4-amine

C18H23N3O3 — CID 782059

IUPACN,1-dimethyl-N-[[5-(2-nitrophenyl)furan-2-yl]methyl]piperidin-4-amine
SMILESCN1CCC(N(C)Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1
InChIInChI=1S/C18H23N3O3/c1-19-11-9-14(10-12-19)20(2)13-15-7-8-18(24-15)16-5-3-4-6-17(16)21(22)23/h3-8,14H,9-13H2,1-2H3
InChIKeyASUCIABPQJDWAU-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.38
Rot. Bonds5

About N,1-dimethyl-N-[[5-(2-nitrophenyl)furan-2-yl]methyl]piperidin-4-amine

N,1-dimethyl-N-[[5-(2-nitrophenyl)furan-2-yl]methyl]piperidin-4-amine (PubChem CID 782059) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is N,1-dimethyl-N-[[5-(2-nitrophenyl)furan-2-yl]methyl]piperidin-4-amine.

Molecular Properties

Compound NameN,1-dimethyl-N-[[5-(2-nitrophenyl)furan-2-yl]methyl]piperidin-4-amine
PubChem CID782059
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC NameN,1-dimethyl-N-[[5-(2-nitrophenyl)furan-2-yl]methyl]piperidin-4-amine
SMILESCN1CCC(N(C)Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1
InChIInChI=1S/C18H23N3O3/c1-19-11-9-14(10-12-19)20(2)13-15-7-8-18(24-15)16-5-3-4-6-17(16)21(22)23/h3-8,14H,9-13H2,1-2H3
InChIKeyASUCIABPQJDWAU-UHFFFAOYSA-N
XLogP3.38
TPSA62.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.38
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

N-methyl-N-[[5-(2-nitrophenyl)furan-2-yl]methyl]butan-1-amine
CID 30980271
[5-(2-nitrophenyl)furan-2-yl]methanamine
CID 82114007
(3S)-1-[[5-(2-nitrophenyl)furan-2-yl]methyl]piperidin-3-ol
CID 7443091
ethyl 1-[[5-(2-nitrophenyl)furan-2-yl]methyl]piperidine-4-carboxylate
CID 2845409
3-[5-(2-nitrophenyl)furan-2-yl]propan-1-amine
CID 170878491
6-methyl-1-[[5-(2-nitrophenyl)furan-2-yl]methyl]piperidine-3-carboxylic acid
CID 122124427
2-[(3R)-1-[[5-(2-nitrophenyl)furan-2-yl]methyl]piperidin-3-yl]acetamide
CID 97160294
2-[(3S)-1-[[5-(2-nitrophenyl)furan-2-yl]methyl]piperidin-3-yl]acetamide
CID 97160295
1-(2-methoxyphenyl)-4-[[5-(2-nitrophenyl)furan-2-yl]methyl]piperazine
CID 1375626
5-methyl-1-[[5-(2-nitrophenyl)furan-2-yl]methyl]pyridine-2,4-dione
CID 118944478
N-methyl-1-methylsulfonyl-N-[(5-phenylfuran-2-yl)methyl]piperidin-4-amine
CID 75515115
4-[2-(2,5-dimethylphenyl)ethyl]-1-[[5-(2-nitrophenyl)furan-2-yl]methyl]piperidine
CID 129136684

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-[[5-(2-nitrophenyl)furan-2-yl]methyl]piperidin-4-amine?
The IUPAC name of N,1-dimethyl-N-[[5-(2-nitrophenyl)furan-2-yl]methyl]piperidin-4-amine (CID 782059) is N,1-dimethyl-N-[[5-(2-nitrophenyl)furan-2-yl]methyl]piperidin-4-amine.
What is the SMILES notation for N,1-dimethyl-N-[[5-(2-nitrophenyl)furan-2-yl]methyl]piperidin-4-amine?
The canonical SMILES for N,1-dimethyl-N-[[5-(2-nitrophenyl)furan-2-yl]methyl]piperidin-4-amine is CN1CCC(N(C)Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1.
What is the InChIKey of N,1-dimethyl-N-[[5-(2-nitrophenyl)furan-2-yl]methyl]piperidin-4-amine?
The InChIKey is ASUCIABPQJDWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-19-11-9-14(10-12-19)20(2)13-15-7-8-18(24-15)16-5-3-4-6-17(16)21(22)23/h3-8,14H,9-13H2,1-2H3.
What are the key properties of N,1-dimethyl-N-[[5-(2-nitrophenyl)furan-2-yl]methyl]piperidin-4-amine?
N,1-dimethyl-N-[[5-(2-nitrophenyl)furan-2-yl]methyl]piperidin-4-amine has a molecular weight of 329.40 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-[[5-(2-nitrophenyl)furan-2-yl]methyl]piperidin-4-amine is sourced from PubChem (CID 782059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).