1-(1-aminohepta-2,4-dien-4-yl)piperidin-4-ol

C12H22N2O — CID 123300699

IUPAC1-(1-aminohepta-2,4-dien-4-yl)piperidin-4-ol
SMILESCCC=C(C=CCN)N1CCC(O)CC1
InChIInChI=1S/C12H22N2O/c1-2-4-11(5-3-8-13)14-9-6-12(15)7-10-14/h3-5,12,15H,2,6-10,13H2,1H3
InChIKeyXKGLRHZGRWBXGE-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.25
Rot. Bonds4

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

1-(1-aminohepta-2,4-dien-4-yl)piperidin-4-ol (PubChem CID 123300699) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-(1-aminohepta-2,4-dien-4-yl)piperidin-4-ol.

Molecular Properties

Compound Name1-(1-aminohepta-2,4-dien-4-yl)piperidin-4-ol
PubChem CID123300699
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name1-(1-aminohepta-2,4-dien-4-yl)piperidin-4-ol
SMILESCCC=C(C=CCN)N1CCC(O)CC1
InChIInChI=1S/C12H22N2O/c1-2-4-11(5-3-8-13)14-9-6-12(15)7-10-14/h3-5,12,15H,2,6-10,13H2,1H3
InChIKeyXKGLRHZGRWBXGE-UHFFFAOYSA-N
XLogP1.25
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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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-(4-Aminocyclohexa-1,5-dien-1-yl)piperidin-4-ol
CID 89073983
1-[(3E)-6-aminohexa-1,3-dien-3-yl]piperidin-2-ol
CID 89154049
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-(1-aminohepta-2,4-dien-4-yl)piperidin-4-ol?
The IUPAC name of 1-(1-aminohepta-2,4-dien-4-yl)piperidin-4-ol (CID 123300699) is 1-(1-aminohepta-2,4-dien-4-yl)piperidin-4-ol.
What is the SMILES notation for 1-(1-aminohepta-2,4-dien-4-yl)piperidin-4-ol?
The canonical SMILES for 1-(1-aminohepta-2,4-dien-4-yl)piperidin-4-ol is CCC=C(C=CCN)N1CCC(O)CC1.
What is the InChIKey of 1-(1-aminohepta-2,4-dien-4-yl)piperidin-4-ol?
The InChIKey is XKGLRHZGRWBXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-2-4-11(5-3-8-13)14-9-6-12(15)7-10-14/h3-5,12,15H,2,6-10,13H2,1H3.
What are the key properties of 1-(1-aminohepta-2,4-dien-4-yl)piperidin-4-ol?
1-(1-aminohepta-2,4-dien-4-yl)piperidin-4-ol has a molecular weight of 210.32 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminohepta-2,4-dien-4-yl)piperidin-4-ol is sourced from PubChem (CID 123300699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).