1-methanidyl-4-pyridin-2-ylpiperidin-4-ol

C11H15N2O- — CID 21029924

IUPAC1-methanidyl-4-pyridin-2-ylpiperidin-4-ol
SMILES[CH2-]N1CCC(O)(c2ccccn2)CC1
InChIInChI=1S/C11H15N2O/c1-13-8-5-11(14,6-9-13)10-4-2-3-7-12-10/h2-4,7,14H,1,5-6,8-9H2/q-1
InChIKeyQRBUXSZTDPXPKG-UHFFFAOYSA-N
MW191.25 g/mol
LogP1.16
Rot. Bonds1

About 1-methanidyl-4-pyridin-2-ylpiperidin-4-ol

1-methanidyl-4-pyridin-2-ylpiperidin-4-ol (PubChem CID 21029924) has the molecular formula C11H15N2O- and a molecular weight of 191.25 g/mol. Its IUPAC name is 1-methanidyl-4-pyridin-2-ylpiperidin-4-ol.

Molecular Properties

Compound Name1-methanidyl-4-pyridin-2-ylpiperidin-4-ol
PubChem CID21029924
Molecular FormulaC11H15N2O-
Molecular Weight191.25 g/mol
Exact Mass191.12
IUPAC Name1-methanidyl-4-pyridin-2-ylpiperidin-4-ol
SMILES[CH2-]N1CCC(O)(c2ccccn2)CC1
InChIInChI=1S/C11H15N2O/c1-13-8-5-11(14,6-9-13)10-4-2-3-7-12-10/h2-4,7,14H,1,5-6,8-9H2/q-1
InChIKeyQRBUXSZTDPXPKG-UHFFFAOYSA-N
XLogP1.16
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methanidyl-4-pyridin-2-ylpiperidin-4-ol?
The IUPAC name of 1-methanidyl-4-pyridin-2-ylpiperidin-4-ol (CID 21029924) is 1-methanidyl-4-pyridin-2-ylpiperidin-4-ol.
What is the SMILES notation for 1-methanidyl-4-pyridin-2-ylpiperidin-4-ol?
The canonical SMILES for 1-methanidyl-4-pyridin-2-ylpiperidin-4-ol is [CH2-]N1CCC(O)(c2ccccn2)CC1.
What is the InChIKey of 1-methanidyl-4-pyridin-2-ylpiperidin-4-ol?
The InChIKey is QRBUXSZTDPXPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N2O/c1-13-8-5-11(14,6-9-13)10-4-2-3-7-12-10/h2-4,7,14H,1,5-6,8-9H2/q-1.
What are the key properties of 1-methanidyl-4-pyridin-2-ylpiperidin-4-ol?
1-methanidyl-4-pyridin-2-ylpiperidin-4-ol has a molecular weight of 191.25 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methanidyl-4-pyridin-2-ylpiperidin-4-ol is sourced from PubChem (CID 21029924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).