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

C11H18N2O — CID 89073983

IUPAC1-(4-aminocyclohexa-1,5-dien-1-yl)piperidin-4-ol
SMILESNC1C=CC(N2CCC(O)CC2)=CC1
InChIInChI=1S/C11H18N2O/c12-9-1-3-10(4-2-9)13-7-5-11(14)6-8-13/h1,3-4,9,11,14H,2,5-8,12H2
InChIKeyFDKUJIGDJWVEDX-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.61
Rot. Bonds1

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

1-(4-aminocyclohexa-1,5-dien-1-yl)piperidin-4-ol (PubChem CID 89073983) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-(4-aminocyclohexa-1,5-dien-1-yl)piperidin-4-ol.

Molecular Properties

Compound Name1-(4-aminocyclohexa-1,5-dien-1-yl)piperidin-4-ol
PubChem CID89073983
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name1-(4-aminocyclohexa-1,5-dien-1-yl)piperidin-4-ol
SMILESNC1C=CC(N2CCC(O)CC2)=CC1
InChIInChI=1S/C11H18N2O/c12-9-1-3-10(4-2-9)13-7-5-11(14)6-8-13/h1,3-4,9,11,14H,2,5-8,12H2
InChIKeyFDKUJIGDJWVEDX-UHFFFAOYSA-N
XLogP0.61
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 ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminocyclohexa-1,5-dien-1-yl)piperidin-4-ol?
The IUPAC name of 1-(4-aminocyclohexa-1,5-dien-1-yl)piperidin-4-ol (CID 89073983) is 1-(4-aminocyclohexa-1,5-dien-1-yl)piperidin-4-ol.
What is the SMILES notation for 1-(4-aminocyclohexa-1,5-dien-1-yl)piperidin-4-ol?
The canonical SMILES for 1-(4-aminocyclohexa-1,5-dien-1-yl)piperidin-4-ol is NC1C=CC(N2CCC(O)CC2)=CC1.
What is the InChIKey of 1-(4-aminocyclohexa-1,5-dien-1-yl)piperidin-4-ol?
The InChIKey is FDKUJIGDJWVEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c12-9-1-3-10(4-2-9)13-7-5-11(14)6-8-13/h1,3-4,9,11,14H,2,5-8,12H2.
What are the key properties of 1-(4-aminocyclohexa-1,5-dien-1-yl)piperidin-4-ol?
1-(4-aminocyclohexa-1,5-dien-1-yl)piperidin-4-ol has a molecular weight of 194.28 g/mol, XLogP of 0.61, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminocyclohexa-1,5-dien-1-yl)piperidin-4-ol is sourced from PubChem (CID 89073983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).