(3R,5S)-1-(2,3-dihydro-1H-inden-2-yl)piperidine-3,5-diamine

C14H21N3 — CID 118550578

IUPAC(3R,5S)-1-(2,3-dihydro-1H-inden-2-yl)piperidine-3,5-diamine
SMILESN[C@@H]1C[C@H](N)CN(C2Cc3ccccc3C2)C1
InChIInChI=1S/C14H21N3/c15-12-7-13(16)9-17(8-12)14-5-10-3-1-2-4-11(10)6-14/h1-4,12-14H,5-9,15-16H2/t12-,13+
InChIKeyZWFZOVJWOAYHRG-BETUJISGSA-N
MW231.34 g/mol
LogP0.51
Rot. Bonds1

About (3R,5S)-1-(2,3-dihydro-1H-inden-2-yl)piperidine-3,5-diamine

(3R,5S)-1-(2,3-dihydro-1H-inden-2-yl)piperidine-3,5-diamine (PubChem CID 118550578) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is (3R,5S)-1-(2,3-dihydro-1H-inden-2-yl)piperidine-3,5-diamine.

Molecular Properties

Compound Name(3R,5S)-1-(2,3-dihydro-1H-inden-2-yl)piperidine-3,5-diamine
PubChem CID118550578
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name(3R,5S)-1-(2,3-dihydro-1H-inden-2-yl)piperidine-3,5-diamine
SMILESN[C@@H]1C[C@H](N)CN(C2Cc3ccccc3C2)C1
InChIInChI=1S/C14H21N3/c15-12-7-13(16)9-17(8-12)14-5-10-3-1-2-4-11(10)6-14/h1-4,12-14H,5-9,15-16H2/t12-,13+
InChIKeyZWFZOVJWOAYHRG-BETUJISGSA-N
XLogP0.51
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R,5S)-1-(2,3-dihydro-1H-inden-2-yl)piperidine-3,5-diamine 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 (3R,5S)-1-(2,3-dihydro-1H-inden-2-yl)piperidine-3,5-diamine?
The IUPAC name of (3R,5S)-1-(2,3-dihydro-1H-inden-2-yl)piperidine-3,5-diamine (CID 118550578) is (3R,5S)-1-(2,3-dihydro-1H-inden-2-yl)piperidine-3,5-diamine.
What is the SMILES notation for (3R,5S)-1-(2,3-dihydro-1H-inden-2-yl)piperidine-3,5-diamine?
The canonical SMILES for (3R,5S)-1-(2,3-dihydro-1H-inden-2-yl)piperidine-3,5-diamine is N[C@@H]1C[C@H](N)CN(C2Cc3ccccc3C2)C1.
What is the InChIKey of (3R,5S)-1-(2,3-dihydro-1H-inden-2-yl)piperidine-3,5-diamine?
The InChIKey is ZWFZOVJWOAYHRG-BETUJISGSA-N. The full InChI is InChI=1S/C14H21N3/c15-12-7-13(16)9-17(8-12)14-5-10-3-1-2-4-11(10)6-14/h1-4,12-14H,5-9,15-16H2/t12-,13+.
What are the key properties of (3R,5S)-1-(2,3-dihydro-1H-inden-2-yl)piperidine-3,5-diamine?
(3R,5S)-1-(2,3-dihydro-1H-inden-2-yl)piperidine-3,5-diamine has a molecular weight of 231.34 g/mol, XLogP of 0.51, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-1-(2,3-dihydro-1H-inden-2-yl)piperidine-3,5-diamine is sourced from PubChem (CID 118550578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).