piperidin-4-amine;dihydrochloride

C5H14Cl2N2 — CID 24721308

IUPACpiperidin-4-amine;dihydrochloride
SMILESCl.Cl.NC1CCNCC1
InChIInChI=1S/C5H12N2.2ClH/c6-5-1-3-7-4-2-5;;/h5,7H,1-4,6H2;2*1H
InChIKeySGQDWDWJCYEUNC-UHFFFAOYSA-N
MW173.09 g/mol
LogP0.54
Rot. Bonds

About piperidin-4-amine;dihydrochloride

piperidin-4-amine;dihydrochloride (PubChem CID 24721308) has the molecular formula C5H14Cl2N2 and a molecular weight of 173.09 g/mol. Its IUPAC name is piperidin-4-amine;dihydrochloride.

Molecular Properties

Compound Namepiperidin-4-amine;dihydrochloride
PubChem CID24721308
Molecular FormulaC5H14Cl2N2
Molecular Weight173.09 g/mol
Exact Mass172.05
IUPAC Namepiperidin-4-amine;dihydrochloride
SMILESCl.Cl.NC1CCNCC1
InChIInChI=1S/C5H12N2.2ClH/c6-5-1-3-7-4-2-5;;/h5,7H,1-4,6H2;2*1H
InChIKeySGQDWDWJCYEUNC-UHFFFAOYSA-N
XLogP0.54
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.09
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of piperidin-4-amine;dihydrochloride?
The IUPAC name of piperidin-4-amine;dihydrochloride (CID 24721308) is piperidin-4-amine;dihydrochloride.
What is the SMILES notation for piperidin-4-amine;dihydrochloride?
The canonical SMILES for piperidin-4-amine;dihydrochloride is Cl.Cl.NC1CCNCC1.
What is the InChIKey of piperidin-4-amine;dihydrochloride?
The InChIKey is SGQDWDWJCYEUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2.2ClH/c6-5-1-3-7-4-2-5;;/h5,7H,1-4,6H2;2*1H.
What are the key properties of piperidin-4-amine;dihydrochloride?
piperidin-4-amine;dihydrochloride has a molecular weight of 173.09 g/mol, XLogP of 0.54, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-4-amine;dihydrochloride is sourced from PubChem (CID 24721308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).