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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Related Compounds

(2R,4R)-2-[(1E,3E)-penta-1,3-dienyl]piperidin-4-ol
CID 10773405
(2S,4S)-2-[(1E,3E)-penta-1,3-dienyl]piperidin-4-ol
CID 10241170
(2S,4R)-2-[(1E,3E)-penta-1,3-dienyl]piperidin-4-ol
CID 15071617
2-[(1E,3E)-penta-1,3-dienyl]piperidin-4-ol
CID 101290455
(3R,4R)-1-[(1E,3Z)-1,5-diaminohepta-1,3-dien-2-yl]-4-fluoropiperidin-3-ol
CID 156168296
(2R,4S)-2-[(1E,3E)-penta-1,3-dienyl]piperidin-4-ol
CID 11286679
2-(Penta-1,3-dien-1-yl)piperidin-4-ol
CID 53439958
1-[4-[(5-Amino-1-hydroxypentyl)-methylamino]cyclohexa-1,5-dien-1-yl]piperidin-4-ol
CID 70892570
1-[(2Z)-2-[(E)-1-aminoprop-1-enyl]penta-2,4-dienyl]piperidin-4-ol
CID 88905165
1-[(3E)-6-aminohexa-1,3-dien-3-yl]piperidin-2-ol
CID 89154049
1-(1-Aminohepta-2,4-dien-4-yl)piperidin-4-ol
CID 123300699
3-[4-[(1Z,3Z)-1-aminohexa-1,3,5-trienyl]piperidin-1-yl]propan-1-ol
CID 141933488

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).