N-(3-methoxy-4-nitrophenyl)-1-(2-methylprop-2-enyl)piperidin-4-amine

C16H23N3O3 — CID 133319923

IUPACN-(3-methoxy-4-nitrophenyl)-1-(2-methylprop-2-enyl)piperidin-4-amine
SMILESC=C(C)CN1CCC(Nc2ccc([N+](=O)[O-])c(OC)c2)CC1
InChIInChI=1S/C16H23N3O3/c1-12(2)11-18-8-6-13(7-9-18)17-14-4-5-15(19(20)21)16(10-14)22-3/h4-5,10,13,17H,1,6-9,11H2,2-3H3
InChIKeyAUOFXFPAQWUFFK-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.06
Rot. Bonds6

About N-(3-methoxy-4-nitrophenyl)-1-(2-methylprop-2-enyl)piperidin-4-amine

N-(3-methoxy-4-nitrophenyl)-1-(2-methylprop-2-enyl)piperidin-4-amine (PubChem CID 133319923) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-(3-methoxy-4-nitrophenyl)-1-(2-methylprop-2-enyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(3-methoxy-4-nitrophenyl)-1-(2-methylprop-2-enyl)piperidin-4-amine
PubChem CID133319923
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC NameN-(3-methoxy-4-nitrophenyl)-1-(2-methylprop-2-enyl)piperidin-4-amine
SMILESC=C(C)CN1CCC(Nc2ccc([N+](=O)[O-])c(OC)c2)CC1
InChIInChI=1S/C16H23N3O3/c1-12(2)11-18-8-6-13(7-9-18)17-14-4-5-15(19(20)21)16(10-14)22-3/h4-5,10,13,17H,1,6-9,11H2,2-3H3
InChIKeyAUOFXFPAQWUFFK-UHFFFAOYSA-N
XLogP3.06
TPSA67.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-N-(3-methoxy-4-nitrophenyl)-1-N-methylcyclohexane-1,4-diamine
CID 79111166
furan-3-yl-[4-(3-methoxy-4-nitroanilino)piperidin-1-yl]methanone
CID 71998100
1-(2-fluoroethyl)-N-(3-methoxy-4-nitrophenyl)azetidin-3-amine
CID 86709974
3-[4-(4-chlorophenyl)piperidin-1-yl]-1-[4-(3-methoxy-4-nitroanilino)piperidin-1-yl]propan-1-one
CID 58577234
methane;1-[4-(3-methoxy-4-nitroanilino)piperidin-1-yl]-3-[4-[(4-methylphenyl)methoxy]piperidin-1-yl]propan-1-one
CID 157195095
3-[4-(4-tert-butylphenyl)piperazin-1-yl]-1-[4-(3-methoxy-4-nitroanilino)piperidin-1-yl]propan-1-one
CID 58576248
cis-(1S,2R)-2-(3-methoxy-4-nitroanilino)cyclopentan-1-ol
CID 99857886
N-cyclopropyl-N'-(3-methoxy-4-nitrophenyl)ethane-1,2-diamine
CID 63672015
1-(2,4-difluorophenyl)-N-(3-methoxy-4-nitrophenyl)pyrrolidin-3-amine
CID 133320558
3-ethoxy-N-(4-methylcyclohexyl)-4-nitroaniline
CID 63670246
1-(2-methylprop-2-enyl)-N-[(2-nitrophenyl)methyl]piperidin-4-amine
CID 119124367
N-[4-[(1-ethylpiperidin-4-yl)amino]-2-methoxyphenyl]acetamide
CID 43672950

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-4-nitrophenyl)-1-(2-methylprop-2-enyl)piperidin-4-amine?
The IUPAC name of N-(3-methoxy-4-nitrophenyl)-1-(2-methylprop-2-enyl)piperidin-4-amine (CID 133319923) is N-(3-methoxy-4-nitrophenyl)-1-(2-methylprop-2-enyl)piperidin-4-amine.
What is the SMILES notation for N-(3-methoxy-4-nitrophenyl)-1-(2-methylprop-2-enyl)piperidin-4-amine?
The canonical SMILES for N-(3-methoxy-4-nitrophenyl)-1-(2-methylprop-2-enyl)piperidin-4-amine is C=C(C)CN1CCC(Nc2ccc([N+](=O)[O-])c(OC)c2)CC1.
What is the InChIKey of N-(3-methoxy-4-nitrophenyl)-1-(2-methylprop-2-enyl)piperidin-4-amine?
The InChIKey is AUOFXFPAQWUFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-12(2)11-18-8-6-13(7-9-18)17-14-4-5-15(19(20)21)16(10-14)22-3/h4-5,10,13,17H,1,6-9,11H2,2-3H3.
What are the key properties of N-(3-methoxy-4-nitrophenyl)-1-(2-methylprop-2-enyl)piperidin-4-amine?
N-(3-methoxy-4-nitrophenyl)-1-(2-methylprop-2-enyl)piperidin-4-amine has a molecular weight of 305.38 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-4-nitrophenyl)-1-(2-methylprop-2-enyl)piperidin-4-amine is sourced from PubChem (CID 133319923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).