bicyclo[3.2.1]octa-1(8),2,4-triene;piperidin-4-amine;hydrochloride

C13H21ClN2 — CID 174441438

IUPACbicyclo[3.2.1]octa-1(8),2,4-triene;piperidin-4-amine;hydrochloride
SMILESCl.NC1CCNCC1.c1cc2cc(c1)CC2
InChIInChI=1S/C8H8.C5H12N2.ClH/c1-2-7-4-5-8(3-1)6-7;6-5-1-3-7-4-2-5;/h1-3,6H,4-5H2;5,7H,1-4,6H2;1H
InChIKeySRAZXHSQNLXUNM-UHFFFAOYSA-N
MW240.78 g/mol
LogP1.90
Rot. Bonds

About bicyclo[3.2.1]octa-1(8),2,4-triene;piperidin-4-amine;hydrochloride

bicyclo[3.2.1]octa-1(8),2,4-triene;piperidin-4-amine;hydrochloride (PubChem CID 174441438) has the molecular formula C13H21ClN2 and a molecular weight of 240.78 g/mol. Its IUPAC name is bicyclo[3.2.1]octa-1(8),2,4-triene;piperidin-4-amine;hydrochloride.

Molecular Properties

Compound Namebicyclo[3.2.1]octa-1(8),2,4-triene;piperidin-4-amine;hydrochloride
PubChem CID174441438
Molecular FormulaC13H21ClN2
Molecular Weight240.78 g/mol
Exact Mass240.14
IUPAC Namebicyclo[3.2.1]octa-1(8),2,4-triene;piperidin-4-amine;hydrochloride
SMILESCl.NC1CCNCC1.c1cc2cc(c1)CC2
InChIInChI=1S/C8H8.C5H12N2.ClH/c1-2-7-4-5-8(3-1)6-7;6-5-1-3-7-4-2-5;/h1-3,6H,4-5H2;5,7H,1-4,6H2;1H
InChIKeySRAZXHSQNLXUNM-UHFFFAOYSA-N
XLogP1.90
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.78
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of bicyclo[3.2.1]octa-1(8),2,4-triene;piperidin-4-amine;hydrochloride?
The IUPAC name of bicyclo[3.2.1]octa-1(8),2,4-triene;piperidin-4-amine;hydrochloride (CID 174441438) is bicyclo[3.2.1]octa-1(8),2,4-triene;piperidin-4-amine;hydrochloride.
What is the SMILES notation for bicyclo[3.2.1]octa-1(8),2,4-triene;piperidin-4-amine;hydrochloride?
The canonical SMILES for bicyclo[3.2.1]octa-1(8),2,4-triene;piperidin-4-amine;hydrochloride is Cl.NC1CCNCC1.c1cc2cc(c1)CC2.
What is the InChIKey of bicyclo[3.2.1]octa-1(8),2,4-triene;piperidin-4-amine;hydrochloride?
The InChIKey is SRAZXHSQNLXUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8.C5H12N2.ClH/c1-2-7-4-5-8(3-1)6-7;6-5-1-3-7-4-2-5;/h1-3,6H,4-5H2;5,7H,1-4,6H2;1H.
What are the key properties of bicyclo[3.2.1]octa-1(8),2,4-triene;piperidin-4-amine;hydrochloride?
bicyclo[3.2.1]octa-1(8),2,4-triene;piperidin-4-amine;hydrochloride has a molecular weight of 240.78 g/mol, XLogP of 1.90, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[3.2.1]octa-1(8),2,4-triene;piperidin-4-amine;hydrochloride is sourced from PubChem (CID 174441438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).