1-amino-1-piperidin-4-ylhexane-1,2,3,4,5-pentol;dihydrochloride

C11H26Cl2N2O5 — CID 174971818

IUPAC1-amino-1-piperidin-4-ylhexane-1,2,3,4,5-pentol;dihydrochloride
SMILESCC(O)C(O)C(O)C(O)C(N)(O)C1CCNCC1.Cl.Cl
InChIInChI=1S/C11H24N2O5.2ClH/c1-6(14)8(15)9(16)10(17)11(12,18)7-2-4-13-5-3-7;;/h6-10,13-18H,2-5,12H2,1H3;2*1H
InChIKeyQANMHMXVBJDWQL-UHFFFAOYSA-N
MW337.24 g/mol
LogP-2.06
Rot. Bonds5

About 1-amino-1-piperidin-4-ylhexane-1,2,3,4,5-pentol;dihydrochloride

1-amino-1-piperidin-4-ylhexane-1,2,3,4,5-pentol;dihydrochloride (PubChem CID 174971818) has the molecular formula C11H26Cl2N2O5 and a molecular weight of 337.24 g/mol. Its IUPAC name is 1-amino-1-piperidin-4-ylhexane-1,2,3,4,5-pentol;dihydrochloride.

Molecular Properties

Compound Name1-amino-1-piperidin-4-ylhexane-1,2,3,4,5-pentol;dihydrochloride
PubChem CID174971818
Molecular FormulaC11H26Cl2N2O5
Molecular Weight337.24 g/mol
Exact Mass336.12
IUPAC Name1-amino-1-piperidin-4-ylhexane-1,2,3,4,5-pentol;dihydrochloride
SMILESCC(O)C(O)C(O)C(O)C(N)(O)C1CCNCC1.Cl.Cl
InChIInChI=1S/C11H24N2O5.2ClH/c1-6(14)8(15)9(16)10(17)11(12,18)7-2-4-13-5-3-7;;/h6-10,13-18H,2-5,12H2,1H3;2*1H
InChIKeyQANMHMXVBJDWQL-UHFFFAOYSA-N
XLogP-2.06
TPSA139.20 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.24
LogP ≤ 5-2.06
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-amino-1-piperidin-4-ylhexane-1,2,3,4,5-pentol;dihydrochloride?
The IUPAC name of 1-amino-1-piperidin-4-ylhexane-1,2,3,4,5-pentol;dihydrochloride (CID 174971818) is 1-amino-1-piperidin-4-ylhexane-1,2,3,4,5-pentol;dihydrochloride.
What is the SMILES notation for 1-amino-1-piperidin-4-ylhexane-1,2,3,4,5-pentol;dihydrochloride?
The canonical SMILES for 1-amino-1-piperidin-4-ylhexane-1,2,3,4,5-pentol;dihydrochloride is CC(O)C(O)C(O)C(O)C(N)(O)C1CCNCC1.Cl.Cl.
What is the InChIKey of 1-amino-1-piperidin-4-ylhexane-1,2,3,4,5-pentol;dihydrochloride?
The InChIKey is QANMHMXVBJDWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O5.2ClH/c1-6(14)8(15)9(16)10(17)11(12,18)7-2-4-13-5-3-7;;/h6-10,13-18H,2-5,12H2,1H3;2*1H.
What are the key properties of 1-amino-1-piperidin-4-ylhexane-1,2,3,4,5-pentol;dihydrochloride?
1-amino-1-piperidin-4-ylhexane-1,2,3,4,5-pentol;dihydrochloride has a molecular weight of 337.24 g/mol, XLogP of -2.06, 5 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-piperidin-4-ylhexane-1,2,3,4,5-pentol;dihydrochloride is sourced from PubChem (CID 174971818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).