1-(4-nitro-3-propoxyphenyl)piperidin-4-amine

C14H21N3O3 — CID 63671337

IUPAC1-(4-nitro-3-propoxyphenyl)piperidin-4-amine
SMILESCCCOc1cc(N2CCC(N)CC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H21N3O3/c1-2-9-20-14-10-12(3-4-13(14)17(18)19)16-7-5-11(15)6-8-16/h3-4,10-11H,2,5-9,15H2,1H3
InChIKeyDRIQKASUZTULLM-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.31
Rot. Bonds5

About 1-(4-nitro-3-propoxyphenyl)piperidin-4-amine

1-(4-nitro-3-propoxyphenyl)piperidin-4-amine (PubChem CID 63671337) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-(4-nitro-3-propoxyphenyl)piperidin-4-amine.

Molecular Properties

Compound Name1-(4-nitro-3-propoxyphenyl)piperidin-4-amine
PubChem CID63671337
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name1-(4-nitro-3-propoxyphenyl)piperidin-4-amine
SMILESCCCOc1cc(N2CCC(N)CC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H21N3O3/c1-2-9-20-14-10-12(3-4-13(14)17(18)19)16-7-5-11(15)6-8-16/h3-4,10-11H,2,5-9,15H2,1H3
InChIKeyDRIQKASUZTULLM-UHFFFAOYSA-N
XLogP2.31
TPSA81.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-(4-nitro-3-propoxyphenyl)piperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methyl-1-(4-nitro-3-propoxyphenyl)piperidin-3-amine
CID 79994363
[1-(3-ethoxy-4-nitrophenyl)piperidin-4-yl]methanol
CID 63677507
1-(3-ethoxy-4-nitrophenyl)piperidin-3-amine
CID 63671363
1-(4-methyl-3-nitrophenyl)piperidin-4-amine
CID 62910930
1-[1-(3-ethoxy-4-nitrophenyl)pyrrolidin-3-yl]ethanol
CID 115966605
8-(3-ethoxy-4-nitrophenyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 63671678
5-(4-aminopiperidin-1-yl)-2-nitrobenzonitrile
CID 115500461
3-(3-ethoxy-4-nitrophenyl)-3,9-diazabicyclo[4.2.1]nonane
CID 115314574
(3R,4R)-3-fluoro-1-(3-methoxy-4-nitrophenyl)piperidin-4-amine
CID 140575133
2,2-dimethyl-1-(4-nitro-3-propoxyphenyl)piperazine
CID 65462007
1-(3-methoxy-4-nitrophenyl)azetidin-3-amine
CID 65249752
1-(4-nitro-3-propoxyphenyl)-1,2,4-triazole
CID 63812476

Frequently Asked Questions

What is the IUPAC name of 1-(4-nitro-3-propoxyphenyl)piperidin-4-amine?
The IUPAC name of 1-(4-nitro-3-propoxyphenyl)piperidin-4-amine (CID 63671337) is 1-(4-nitro-3-propoxyphenyl)piperidin-4-amine.
What is the SMILES notation for 1-(4-nitro-3-propoxyphenyl)piperidin-4-amine?
The canonical SMILES for 1-(4-nitro-3-propoxyphenyl)piperidin-4-amine is CCCOc1cc(N2CCC(N)CC2)ccc1[N+](=O)[O-].
What is the InChIKey of 1-(4-nitro-3-propoxyphenyl)piperidin-4-amine?
The InChIKey is DRIQKASUZTULLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-2-9-20-14-10-12(3-4-13(14)17(18)19)16-7-5-11(15)6-8-16/h3-4,10-11H,2,5-9,15H2,1H3.
What are the key properties of 1-(4-nitro-3-propoxyphenyl)piperidin-4-amine?
1-(4-nitro-3-propoxyphenyl)piperidin-4-amine has a molecular weight of 279.34 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-nitro-3-propoxyphenyl)piperidin-4-amine is sourced from PubChem (CID 63671337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).