N-(2-methoxy-4-nitrophenyl)-1-[(3-methylphenyl)methyl]piperidin-4-amine

C20H25N3O3 — CID 4646578

IUPACN-(2-methoxy-4-nitrophenyl)-1-[(3-methylphenyl)methyl]piperidin-4-amine
SMILESCOc1cc([N+](=O)[O-])ccc1NC1CCN(Cc2cccc(C)c2)CC1
InChIInChI=1S/C20H25N3O3/c1-15-4-3-5-16(12-15)14-22-10-8-17(9-11-22)21-19-7-6-18(23(24)25)13-20(19)26-2/h3-7,12-13,17,21H,8-11,14H2,1-2H3
InChIKeyRJZUDEDXIKJRPU-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.99
Rot. Bonds6

About N-(2-methoxy-4-nitrophenyl)-1-[(3-methylphenyl)methyl]piperidin-4-amine

N-(2-methoxy-4-nitrophenyl)-1-[(3-methylphenyl)methyl]piperidin-4-amine (PubChem CID 4646578) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-(2-methoxy-4-nitrophenyl)-1-[(3-methylphenyl)methyl]piperidin-4-amine.

Molecular Properties

Compound NameN-(2-methoxy-4-nitrophenyl)-1-[(3-methylphenyl)methyl]piperidin-4-amine
PubChem CID4646578
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC NameN-(2-methoxy-4-nitrophenyl)-1-[(3-methylphenyl)methyl]piperidin-4-amine
SMILESCOc1cc([N+](=O)[O-])ccc1NC1CCN(Cc2cccc(C)c2)CC1
InChIInChI=1S/C20H25N3O3/c1-15-4-3-5-16(12-15)14-22-10-8-17(9-11-22)21-19-7-6-18(23(24)25)13-20(19)26-2/h3-7,12-13,17,21H,8-11,14H2,1-2H3
InChIKeyRJZUDEDXIKJRPU-UHFFFAOYSA-N
XLogP3.99
TPSA67.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.99
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

N-(2-methoxy-4-nitrophenyl)-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-4-amine
CID 4279477
N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-5-nitropyridin-2-amine
CID 47054301
N-(2-methoxy-5-nitrophenyl)-1-[(4-methylsulfanylphenyl)methyl]piperidin-4-amine
CID 2981366
N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-8-nitroisoquinolin-5-amine
CID 55827431
N-(4-bromophenyl)-1-[(3-nitrophenyl)methyl]piperidin-4-amine
CID 7346272
N-(2-methoxy-4-nitrophenyl)-1-[(3-methylphenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8671373
1-[(3,4-difluorophenyl)methyl]-N-(4-fluoro-5-methoxy-2-nitrophenyl)piperidin-4-amine
CID 133359874
N-[2-(dimethylamino)ethyl]-4-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]amino]-3-nitrobenzenesulfonamide
CID 55827432
N-methyl-1-[1-[(3-nitrophenyl)methyl]piperidin-4-yl]methanamine;hydrochloride
CID 119922248
4-(4-methylphenyl)-1-[(3-nitrophenyl)methyl]piperidine
CID 140984841
[4-(2-methoxy-4-nitroanilino)piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 5131579
N-(4-chloro-2,5-dimethoxyphenyl)-1-[(3-methylphenyl)methyl]piperidine-4-carboxamide
CID 45012607

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-4-nitrophenyl)-1-[(3-methylphenyl)methyl]piperidin-4-amine?
The IUPAC name of N-(2-methoxy-4-nitrophenyl)-1-[(3-methylphenyl)methyl]piperidin-4-amine (CID 4646578) is N-(2-methoxy-4-nitrophenyl)-1-[(3-methylphenyl)methyl]piperidin-4-amine.
What is the SMILES notation for N-(2-methoxy-4-nitrophenyl)-1-[(3-methylphenyl)methyl]piperidin-4-amine?
The canonical SMILES for N-(2-methoxy-4-nitrophenyl)-1-[(3-methylphenyl)methyl]piperidin-4-amine is COc1cc([N+](=O)[O-])ccc1NC1CCN(Cc2cccc(C)c2)CC1.
What is the InChIKey of N-(2-methoxy-4-nitrophenyl)-1-[(3-methylphenyl)methyl]piperidin-4-amine?
The InChIKey is RJZUDEDXIKJRPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-15-4-3-5-16(12-15)14-22-10-8-17(9-11-22)21-19-7-6-18(23(24)25)13-20(19)26-2/h3-7,12-13,17,21H,8-11,14H2,1-2H3.
What are the key properties of N-(2-methoxy-4-nitrophenyl)-1-[(3-methylphenyl)methyl]piperidin-4-amine?
N-(2-methoxy-4-nitrophenyl)-1-[(3-methylphenyl)methyl]piperidin-4-amine has a molecular weight of 355.44 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-4-nitrophenyl)-1-[(3-methylphenyl)methyl]piperidin-4-amine is sourced from PubChem (CID 4646578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).