(3-aminopiperidin-1-yl)-(2-chloro-4-nitrophenyl)methanone;hydrochloride

C12H15Cl2N3O3 — CID 119378331

IUPAC(3-aminopiperidin-1-yl)-(2-chloro-4-nitrophenyl)methanone;hydrochloride
SMILESCl.NC1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C1
InChIInChI=1S/C12H14ClN3O3.ClH/c13-11-6-9(16(18)19)3-4-10(11)12(17)15-5-1-2-8(14)7-15;/h3-4,6,8H,1-2,5,7,14H2;1H
InChIKeyUBUSNIPQNFKTHS-UHFFFAOYSA-N
MW320.18 g/mol
LogP2.23
Rot. Bonds2

About (3-aminopiperidin-1-yl)-(2-chloro-4-nitrophenyl)methanone;hydrochloride

(3-aminopiperidin-1-yl)-(2-chloro-4-nitrophenyl)methanone;hydrochloride (PubChem CID 119378331) has the molecular formula C12H15Cl2N3O3 and a molecular weight of 320.18 g/mol. Its IUPAC name is (3-aminopiperidin-1-yl)-(2-chloro-4-nitrophenyl)methanone;hydrochloride.

Molecular Properties

Compound Name(3-aminopiperidin-1-yl)-(2-chloro-4-nitrophenyl)methanone;hydrochloride
PubChem CID119378331
Molecular FormulaC12H15Cl2N3O3
Molecular Weight320.18 g/mol
Exact Mass319.05
IUPAC Name(3-aminopiperidin-1-yl)-(2-chloro-4-nitrophenyl)methanone;hydrochloride
SMILESCl.NC1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C1
InChIInChI=1S/C12H14ClN3O3.ClH/c13-11-6-9(16(18)19)3-4-10(11)12(17)15-5-1-2-8(14)7-15;/h3-4,6,8H,1-2,5,7,14H2;1H
InChIKeyUBUSNIPQNFKTHS-UHFFFAOYSA-N
XLogP2.23
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.18
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3-aminopiperidin-1-yl)-(2-chloro-4-nitrophenyl)methanone;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-aminopiperidin-1-yl)-(2-chloro-4-nitrophenyl)methanone;hydrochloride?
The IUPAC name of (3-aminopiperidin-1-yl)-(2-chloro-4-nitrophenyl)methanone;hydrochloride (CID 119378331) is (3-aminopiperidin-1-yl)-(2-chloro-4-nitrophenyl)methanone;hydrochloride.
What is the SMILES notation for (3-aminopiperidin-1-yl)-(2-chloro-4-nitrophenyl)methanone;hydrochloride?
The canonical SMILES for (3-aminopiperidin-1-yl)-(2-chloro-4-nitrophenyl)methanone;hydrochloride is Cl.NC1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C1.
What is the InChIKey of (3-aminopiperidin-1-yl)-(2-chloro-4-nitrophenyl)methanone;hydrochloride?
The InChIKey is UBUSNIPQNFKTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O3.ClH/c13-11-6-9(16(18)19)3-4-10(11)12(17)15-5-1-2-8(14)7-15;/h3-4,6,8H,1-2,5,7,14H2;1H.
What are the key properties of (3-aminopiperidin-1-yl)-(2-chloro-4-nitrophenyl)methanone;hydrochloride?
(3-aminopiperidin-1-yl)-(2-chloro-4-nitrophenyl)methanone;hydrochloride has a molecular weight of 320.18 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopiperidin-1-yl)-(2-chloro-4-nitrophenyl)methanone;hydrochloride is sourced from PubChem (CID 119378331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).