2-[1-(4-aminobutyl)piperidin-4-yl]propan-1-ol;dihydrochloride

C12H28Cl2N2O — CID 122163841

IUPAC2-[1-(4-aminobutyl)piperidin-4-yl]propan-1-ol;dihydrochloride
SMILESCC(CO)C1CCN(CCCCN)CC1.Cl.Cl
InChIInChI=1S/C12H26N2O.2ClH/c1-11(10-15)12-4-8-14(9-5-12)7-3-2-6-13;;/h11-12,15H,2-10,13H2,1H3;2*1H
InChIKeyVKGFEHGQRDVPPU-UHFFFAOYSA-N
MW287.28 g/mol
LogP1.91
Rot. Bonds6

About 2-[1-(4-aminobutyl)piperidin-4-yl]propan-1-ol;dihydrochloride

2-[1-(4-aminobutyl)piperidin-4-yl]propan-1-ol;dihydrochloride (PubChem CID 122163841) has the molecular formula C12H28Cl2N2O and a molecular weight of 287.28 g/mol. Its IUPAC name is 2-[1-(4-aminobutyl)piperidin-4-yl]propan-1-ol;dihydrochloride.

Molecular Properties

Compound Name2-[1-(4-aminobutyl)piperidin-4-yl]propan-1-ol;dihydrochloride
PubChem CID122163841
Molecular FormulaC12H28Cl2N2O
Molecular Weight287.28 g/mol
Exact Mass286.16
IUPAC Name2-[1-(4-aminobutyl)piperidin-4-yl]propan-1-ol;dihydrochloride
SMILESCC(CO)C1CCN(CCCCN)CC1.Cl.Cl
InChIInChI=1S/C12H26N2O.2ClH/c1-11(10-15)12-4-8-14(9-5-12)7-3-2-6-13;;/h11-12,15H,2-10,13H2,1H3;2*1H
InChIKeyVKGFEHGQRDVPPU-UHFFFAOYSA-N
XLogP1.91
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-aminobutyl)piperidin-4-yl]propan-1-ol;dihydrochloride?
The IUPAC name of 2-[1-(4-aminobutyl)piperidin-4-yl]propan-1-ol;dihydrochloride (CID 122163841) is 2-[1-(4-aminobutyl)piperidin-4-yl]propan-1-ol;dihydrochloride.
What is the SMILES notation for 2-[1-(4-aminobutyl)piperidin-4-yl]propan-1-ol;dihydrochloride?
The canonical SMILES for 2-[1-(4-aminobutyl)piperidin-4-yl]propan-1-ol;dihydrochloride is CC(CO)C1CCN(CCCCN)CC1.Cl.Cl.
What is the InChIKey of 2-[1-(4-aminobutyl)piperidin-4-yl]propan-1-ol;dihydrochloride?
The InChIKey is VKGFEHGQRDVPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O.2ClH/c1-11(10-15)12-4-8-14(9-5-12)7-3-2-6-13;;/h11-12,15H,2-10,13H2,1H3;2*1H.
What are the key properties of 2-[1-(4-aminobutyl)piperidin-4-yl]propan-1-ol;dihydrochloride?
2-[1-(4-aminobutyl)piperidin-4-yl]propan-1-ol;dihydrochloride has a molecular weight of 287.28 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-aminobutyl)piperidin-4-yl]propan-1-ol;dihydrochloride is sourced from PubChem (CID 122163841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).