amino(piperidin-1-yl)methanol

C6H14N2O — CID 91080151

IUPACamino(piperidin-1-yl)methanol
SMILESNC(O)N1CCCCC1
InChIInChI=1S/C6H14N2O/c7-6(9)8-4-2-1-3-5-8/h6,9H,1-5,7H2
InChIKeyPHQUMIBYKMDGPQ-UHFFFAOYSA-N
MW130.19 g/mol
LogP-0.29
Rot. Bonds1

About amino(piperidin-1-yl)methanol

amino(piperidin-1-yl)methanol (PubChem CID 91080151) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is amino(piperidin-1-yl)methanol.

Molecular Properties

Compound Nameamino(piperidin-1-yl)methanol
PubChem CID91080151
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC Nameamino(piperidin-1-yl)methanol
SMILESNC(O)N1CCCCC1
InChIInChI=1S/C6H14N2O/c7-6(9)8-4-2-1-3-5-8/h6,9H,1-5,7H2
InChIKeyPHQUMIBYKMDGPQ-UHFFFAOYSA-N
XLogP-0.29
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 amino(piperidin-1-yl)methanol?
The IUPAC name of amino(piperidin-1-yl)methanol (CID 91080151) is amino(piperidin-1-yl)methanol.
What is the SMILES notation for amino(piperidin-1-yl)methanol?
The canonical SMILES for amino(piperidin-1-yl)methanol is NC(O)N1CCCCC1.
What is the InChIKey of amino(piperidin-1-yl)methanol?
The InChIKey is PHQUMIBYKMDGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O/c7-6(9)8-4-2-1-3-5-8/h6,9H,1-5,7H2.
What are the key properties of amino(piperidin-1-yl)methanol?
amino(piperidin-1-yl)methanol has a molecular weight of 130.19 g/mol, XLogP of -0.29, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for amino(piperidin-1-yl)methanol is sourced from PubChem (CID 91080151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).