N-(4-methoxy-2-nitrophenyl)-N-propylpiperidin-3-amine

C15H23N3O3 — CID 63636836

IUPACN-(4-methoxy-2-nitrophenyl)-N-propylpiperidin-3-amine
SMILESCCCN(c1ccc(OC)cc1[N+](=O)[O-])C1CCCNC1
InChIInChI=1S/C15H23N3O3/c1-3-9-17(12-5-4-8-16-11-12)14-7-6-13(21-2)10-15(14)18(19)20/h6-7,10,12,16H,3-5,8-9,11H2,1-2H3
InChIKeyCXCIONOPFXQRCT-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.57
Rot. Bonds6

About N-(4-methoxy-2-nitrophenyl)-N-propylpiperidin-3-amine

N-(4-methoxy-2-nitrophenyl)-N-propylpiperidin-3-amine (PubChem CID 63636836) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-(4-methoxy-2-nitrophenyl)-N-propylpiperidin-3-amine.

Molecular Properties

Compound NameN-(4-methoxy-2-nitrophenyl)-N-propylpiperidin-3-amine
PubChem CID63636836
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC NameN-(4-methoxy-2-nitrophenyl)-N-propylpiperidin-3-amine
SMILESCCCN(c1ccc(OC)cc1[N+](=O)[O-])C1CCCNC1
InChIInChI=1S/C15H23N3O3/c1-3-9-17(12-5-4-8-16-11-12)14-7-6-13(21-2)10-15(14)18(19)20/h6-7,10,12,16H,3-5,8-9,11H2,1-2H3
InChIKeyCXCIONOPFXQRCT-UHFFFAOYSA-N
XLogP2.57
TPSA67.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', '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

N-(4-fluoro-5-methyl-2-nitrophenyl)-N-propylpiperidin-3-amine
CID 103594171
N-ethyl-N-(4-methyl-2-nitrophenyl)piperidin-3-amine
CID 63636312
N-(2-bromo-4-nitrophenyl)-N-propylpiperidin-3-amine
CID 63637187
4-methoxy-N-methyl-2-nitro-N-(piperidin-3-ylmethyl)aniline
CID 106642746
5-nitro-2-[piperidin-3-yl(propyl)amino]benzonitrile
CID 63637009
N-ethyl-N-(3-methoxy-4-nitrophenyl)piperidin-3-amine
CID 63670184
3-(N-cyclopropyl-4-methoxy-2-nitroanilino)propanenitrile
CID 54997366
ethyl 2-(N-cyclopropyl-4-methoxy-2-nitroanilino)acetate
CID 62004608
(4-methoxy-2-nitrophenyl) N-tert-butyl-N-[(3S)-piperidin-3-yl]carbamate
CID 175119074
N-(5-bromo-2-nitrophenyl)-N-ethylpiperidin-3-amine
CID 65343726
N-ethyl-3-nitro-N-piperidin-3-ylpyridin-4-amine
CID 63638439
2-[ethyl(piperidin-3-yl)amino]-4-methoxybenzonitrile
CID 81304790

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2-nitrophenyl)-N-propylpiperidin-3-amine?
The IUPAC name of N-(4-methoxy-2-nitrophenyl)-N-propylpiperidin-3-amine (CID 63636836) is N-(4-methoxy-2-nitrophenyl)-N-propylpiperidin-3-amine.
What is the SMILES notation for N-(4-methoxy-2-nitrophenyl)-N-propylpiperidin-3-amine?
The canonical SMILES for N-(4-methoxy-2-nitrophenyl)-N-propylpiperidin-3-amine is CCCN(c1ccc(OC)cc1[N+](=O)[O-])C1CCCNC1.
What is the InChIKey of N-(4-methoxy-2-nitrophenyl)-N-propylpiperidin-3-amine?
The InChIKey is CXCIONOPFXQRCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-3-9-17(12-5-4-8-16-11-12)14-7-6-13(21-2)10-15(14)18(19)20/h6-7,10,12,16H,3-5,8-9,11H2,1-2H3.
What are the key properties of N-(4-methoxy-2-nitrophenyl)-N-propylpiperidin-3-amine?
N-(4-methoxy-2-nitrophenyl)-N-propylpiperidin-3-amine has a molecular weight of 293.37 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2-nitrophenyl)-N-propylpiperidin-3-amine is sourced from PubChem (CID 63636836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).