N-piperidin-4-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-dien-5-amine

C13H20N4 — CID 114698074

IUPACN-piperidin-4-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-dien-5-amine
SMILESC1CC(Nc2n[nH]c3c2C2CCC3C2)CCN1
InChIInChI=1S/C13H20N4/c1-2-9-7-8(1)11-12(9)16-17-13(11)15-10-3-5-14-6-4-10/h8-10,14H,1-7H2,(H2,15,16,17)
InChIKeyHQIOUZHISMXGKE-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.94
Rot. Bonds2

About N-piperidin-4-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-dien-5-amine

N-piperidin-4-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-dien-5-amine (PubChem CID 114698074) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is N-piperidin-4-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-dien-5-amine.

Molecular Properties

Compound NameN-piperidin-4-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-dien-5-amine
PubChem CID114698074
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC NameN-piperidin-4-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-dien-5-amine
SMILESC1CC(Nc2n[nH]c3c2C2CCC3C2)CCN1
InChIInChI=1S/C13H20N4/c1-2-9-7-8(1)11-12(9)16-17-13(11)15-10-3-5-14-6-4-10/h8-10,14H,1-7H2,(H2,15,16,17)
InChIKeyHQIOUZHISMXGKE-UHFFFAOYSA-N
XLogP1.94
TPSA52.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-piperidin-4-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-dien-5-amine 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 N-piperidin-4-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-dien-5-amine?
The IUPAC name of N-piperidin-4-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-dien-5-amine (CID 114698074) is N-piperidin-4-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-dien-5-amine.
What is the SMILES notation for N-piperidin-4-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-dien-5-amine?
The canonical SMILES for N-piperidin-4-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-dien-5-amine is C1CC(Nc2n[nH]c3c2C2CCC3C2)CCN1.
What is the InChIKey of N-piperidin-4-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-dien-5-amine?
The InChIKey is HQIOUZHISMXGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-2-9-7-8(1)11-12(9)16-17-13(11)15-10-3-5-14-6-4-10/h8-10,14H,1-7H2,(H2,15,16,17).
What are the key properties of N-piperidin-4-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-dien-5-amine?
N-piperidin-4-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-dien-5-amine has a molecular weight of 232.33 g/mol, XLogP of 1.94, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-4-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-dien-5-amine is sourced from PubChem (CID 114698074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).