(3R)-1-[2-(4-nitrophenyl)ethyl]piperidin-3-amine

C13H19N3O2 — CID 102977402

IUPAC(3R)-1-[2-(4-nitrophenyl)ethyl]piperidin-3-amine
SMILESN[C@@H]1CCCN(CCc2ccc([N+](=O)[O-])cc2)C1
InChIInChI=1S/C13H19N3O2/c14-12-2-1-8-15(10-12)9-7-11-3-5-13(6-4-11)16(17)18/h3-6,12H,1-2,7-10,14H2/t12-/m1/s1
InChIKeyHTKZDQHZSKXYEE-GFCCVEGCSA-N
MW249.31 g/mol
LogP1.56
Rot. Bonds4

About (3R)-1-[2-(4-nitrophenyl)ethyl]piperidin-3-amine

(3R)-1-[2-(4-nitrophenyl)ethyl]piperidin-3-amine (PubChem CID 102977402) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is (3R)-1-[2-(4-nitrophenyl)ethyl]piperidin-3-amine.

Molecular Properties

Compound Name(3R)-1-[2-(4-nitrophenyl)ethyl]piperidin-3-amine
PubChem CID102977402
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name(3R)-1-[2-(4-nitrophenyl)ethyl]piperidin-3-amine
SMILESN[C@@H]1CCCN(CCc2ccc([N+](=O)[O-])cc2)C1
InChIInChI=1S/C13H19N3O2/c14-12-2-1-8-15(10-12)9-7-11-3-5-13(6-4-11)16(17)18/h3-6,12H,1-2,7-10,14H2/t12-/m1/s1
InChIKeyHTKZDQHZSKXYEE-GFCCVEGCSA-N
XLogP1.56
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.56
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 (3R)-1-[2-(4-nitrophenyl)ethyl]piperidin-3-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

1-[2-(4-nitrophenyl)ethyl]piperidin-3-amine;hydrochloride
CID 119909999
1-[(4-nitrophenyl)methyl]piperidin-3-amine;hydrochloride
CID 119910124
1-[2-(4-nitrophenyl)ethyl]piperidin-4-amine;hydrochloride
CID 119907439
1-[2-(4-nitrophenyl)ethyl]pyrrolidine
CID 10536901
1-[2-(4-methoxyphenyl)ethyl]piperidin-3-amine
CID 61296672
2-cyclopropyl-1,4-bis[2-(4-nitrophenyl)ethyl]piperazine
CID 86694464
N-methyl-1-[2-(4-nitrophenyl)ethyl]piperidin-4-amine
CID 119923248
1-[2-(4-nitrophenyl)ethyl]piperidine-4-carbonitrile
CID 48939342
[1-[2-(4-nitrophenyl)ethyl]pyrrolidin-2-yl]methanamine;hydrochloride
CID 119926955
1-[2-(4-bromophenyl)ethyl]-4-[2-(4-nitrophenyl)ethyl]piperazine
CID 67513412
1-[2-(4-nitrophenyl)ethyl]-1,4,8,11-tetrazacyclotetradecane
CID 71182294
(3R)-1-[(2-chloro-4-nitrophenyl)methyl]piperidin-3-amine
CID 102977721

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-(4-nitrophenyl)ethyl]piperidin-3-amine?
The IUPAC name of (3R)-1-[2-(4-nitrophenyl)ethyl]piperidin-3-amine (CID 102977402) is (3R)-1-[2-(4-nitrophenyl)ethyl]piperidin-3-amine.
What is the SMILES notation for (3R)-1-[2-(4-nitrophenyl)ethyl]piperidin-3-amine?
The canonical SMILES for (3R)-1-[2-(4-nitrophenyl)ethyl]piperidin-3-amine is N[C@@H]1CCCN(CCc2ccc([N+](=O)[O-])cc2)C1.
What is the InChIKey of (3R)-1-[2-(4-nitrophenyl)ethyl]piperidin-3-amine?
The InChIKey is HTKZDQHZSKXYEE-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H19N3O2/c14-12-2-1-8-15(10-12)9-7-11-3-5-13(6-4-11)16(17)18/h3-6,12H,1-2,7-10,14H2/t12-/m1/s1.
What are the key properties of (3R)-1-[2-(4-nitrophenyl)ethyl]piperidin-3-amine?
(3R)-1-[2-(4-nitrophenyl)ethyl]piperidin-3-amine has a molecular weight of 249.31 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-(4-nitrophenyl)ethyl]piperidin-3-amine is sourced from PubChem (CID 102977402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).