1-(2-aminocyclohexa-1,5-dien-1-yl)piperidin-4-ol

C11H18N2O — CID 174268396

IUPAC1-(2-aminocyclohexa-1,5-dien-1-yl)piperidin-4-ol
SMILESNC1=C(N2CCC(O)CC2)C=CCC1
InChIInChI=1S/C11H18N2O/c12-10-3-1-2-4-11(10)13-7-5-9(14)6-8-13/h2,4,9,14H,1,3,5-8,12H2
InChIKeyQEOOKEBWCGXIBQ-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.96
Rot. Bonds1

About 1-(2-aminocyclohexa-1,5-dien-1-yl)piperidin-4-ol

1-(2-aminocyclohexa-1,5-dien-1-yl)piperidin-4-ol (PubChem CID 174268396) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-(2-aminocyclohexa-1,5-dien-1-yl)piperidin-4-ol.

Molecular Properties

Compound Name1-(2-aminocyclohexa-1,5-dien-1-yl)piperidin-4-ol
PubChem CID174268396
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name1-(2-aminocyclohexa-1,5-dien-1-yl)piperidin-4-ol
SMILESNC1=C(N2CCC(O)CC2)C=CCC1
InChIInChI=1S/C11H18N2O/c12-10-3-1-2-4-11(10)13-7-5-9(14)6-8-13/h2,4,9,14H,1,3,5-8,12H2
InChIKeyQEOOKEBWCGXIBQ-UHFFFAOYSA-N
XLogP0.96
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminocyclohexa-1,5-dien-1-yl)piperidin-4-ol?
The IUPAC name of 1-(2-aminocyclohexa-1,5-dien-1-yl)piperidin-4-ol (CID 174268396) is 1-(2-aminocyclohexa-1,5-dien-1-yl)piperidin-4-ol.
What is the SMILES notation for 1-(2-aminocyclohexa-1,5-dien-1-yl)piperidin-4-ol?
The canonical SMILES for 1-(2-aminocyclohexa-1,5-dien-1-yl)piperidin-4-ol is NC1=C(N2CCC(O)CC2)C=CCC1.
What is the InChIKey of 1-(2-aminocyclohexa-1,5-dien-1-yl)piperidin-4-ol?
The InChIKey is QEOOKEBWCGXIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c12-10-3-1-2-4-11(10)13-7-5-9(14)6-8-13/h2,4,9,14H,1,3,5-8,12H2.
What are the key properties of 1-(2-aminocyclohexa-1,5-dien-1-yl)piperidin-4-ol?
1-(2-aminocyclohexa-1,5-dien-1-yl)piperidin-4-ol has a molecular weight of 194.28 g/mol, XLogP of 0.96, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminocyclohexa-1,5-dien-1-yl)piperidin-4-ol is sourced from PubChem (CID 174268396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).