piperidin-4-amine;toluene;hydrate;dihydrochloride

C12H24Cl2N2O — CID 174417321

IUPACpiperidin-4-amine;toluene;hydrate;dihydrochloride
SMILESCc1ccccc1.Cl.Cl.NC1CCNCC1.O
InChIInChI=1S/C7H8.C5H12N2.2ClH.H2O/c1-7-5-3-2-4-6-7;6-5-1-3-7-4-2-5;;;/h2-6H,1H3;5,7H,1-4,6H2;2*1H;1H2
InChIKeyAENWGTCBCGWTFE-UHFFFAOYSA-N
MW283.24 g/mol
LogP1.71
Rot. Bonds

About piperidin-4-amine;toluene;hydrate;dihydrochloride

piperidin-4-amine;toluene;hydrate;dihydrochloride (PubChem CID 174417321) has the molecular formula C12H24Cl2N2O and a molecular weight of 283.24 g/mol. Its IUPAC name is piperidin-4-amine;toluene;hydrate;dihydrochloride.

Molecular Properties

Compound Namepiperidin-4-amine;toluene;hydrate;dihydrochloride
PubChem CID174417321
Molecular FormulaC12H24Cl2N2O
Molecular Weight283.24 g/mol
Exact Mass282.13
IUPAC Namepiperidin-4-amine;toluene;hydrate;dihydrochloride
SMILESCc1ccccc1.Cl.Cl.NC1CCNCC1.O
InChIInChI=1S/C7H8.C5H12N2.2ClH.H2O/c1-7-5-3-2-4-6-7;6-5-1-3-7-4-2-5;;;/h2-6H,1H3;5,7H,1-4,6H2;2*1H;1H2
InChIKeyAENWGTCBCGWTFE-UHFFFAOYSA-N
XLogP1.71
TPSA69.55 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.24
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of piperidin-4-amine;toluene;hydrate;dihydrochloride?
The IUPAC name of piperidin-4-amine;toluene;hydrate;dihydrochloride (CID 174417321) is piperidin-4-amine;toluene;hydrate;dihydrochloride.
What is the SMILES notation for piperidin-4-amine;toluene;hydrate;dihydrochloride?
The canonical SMILES for piperidin-4-amine;toluene;hydrate;dihydrochloride is Cc1ccccc1.Cl.Cl.NC1CCNCC1.O.
What is the InChIKey of piperidin-4-amine;toluene;hydrate;dihydrochloride?
The InChIKey is AENWGTCBCGWTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.C5H12N2.2ClH.H2O/c1-7-5-3-2-4-6-7;6-5-1-3-7-4-2-5;;;/h2-6H,1H3;5,7H,1-4,6H2;2*1H;1H2.
What are the key properties of piperidin-4-amine;toluene;hydrate;dihydrochloride?
piperidin-4-amine;toluene;hydrate;dihydrochloride has a molecular weight of 283.24 g/mol, XLogP of 1.71, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-4-amine;toluene;hydrate;dihydrochloride is sourced from PubChem (CID 174417321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).