[1-amino-4-(hydroxymethyl)piperidin-4-yl]methanol

C7H16N2O2 — CID 155236449

IUPAC[1-amino-4-(hydroxymethyl)piperidin-4-yl]methanol
SMILESNN1CCC(CO)(CO)CC1
InChIInChI=1S/C7H16N2O2/c8-9-3-1-7(5-10,6-11)2-4-9/h10-11H,1-6,8H2
InChIKeyOOJSILLGTLBONE-UHFFFAOYSA-N
MW160.22 g/mol
LogP-1.07
Rot. Bonds2

About [1-amino-4-(hydroxymethyl)piperidin-4-yl]methanol

[1-amino-4-(hydroxymethyl)piperidin-4-yl]methanol (PubChem CID 155236449) has the molecular formula C7H16N2O2 and a molecular weight of 160.22 g/mol. Its IUPAC name is [1-amino-4-(hydroxymethyl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-amino-4-(hydroxymethyl)piperidin-4-yl]methanol
PubChem CID155236449
Molecular FormulaC7H16N2O2
Molecular Weight160.22 g/mol
Exact Mass160.12
IUPAC Name[1-amino-4-(hydroxymethyl)piperidin-4-yl]methanol
SMILESNN1CCC(CO)(CO)CC1
InChIInChI=1S/C7H16N2O2/c8-9-3-1-7(5-10,6-11)2-4-9/h10-11H,1-6,8H2
InChIKeyOOJSILLGTLBONE-UHFFFAOYSA-N
XLogP-1.07
TPSA69.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 5-1.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-amino-4-(hydroxymethyl)piperidin-4-yl]methanol?
The IUPAC name of [1-amino-4-(hydroxymethyl)piperidin-4-yl]methanol (CID 155236449) is [1-amino-4-(hydroxymethyl)piperidin-4-yl]methanol.
What is the SMILES notation for [1-amino-4-(hydroxymethyl)piperidin-4-yl]methanol?
The canonical SMILES for [1-amino-4-(hydroxymethyl)piperidin-4-yl]methanol is NN1CCC(CO)(CO)CC1.
What is the InChIKey of [1-amino-4-(hydroxymethyl)piperidin-4-yl]methanol?
The InChIKey is OOJSILLGTLBONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2/c8-9-3-1-7(5-10,6-11)2-4-9/h10-11H,1-6,8H2.
What are the key properties of [1-amino-4-(hydroxymethyl)piperidin-4-yl]methanol?
[1-amino-4-(hydroxymethyl)piperidin-4-yl]methanol has a molecular weight of 160.22 g/mol, XLogP of -1.07, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-amino-4-(hydroxymethyl)piperidin-4-yl]methanol is sourced from PubChem (CID 155236449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).