1-[(2Z)-2-[(E)-1-aminoprop-1-enyl]penta-2,4-dienyl]piperidin-4-ol

C13H22N2O — CID 88905165

IUPAC1-[(2Z)-2-[(E)-1-aminoprop-1-enyl]penta-2,4-dienyl]piperidin-4-ol
SMILESC=C/C=C(CN1CCC(O)CC1)\C(N)=C/C
InChIInChI=1S/C13H22N2O/c1-3-5-11(13(14)4-2)10-15-8-6-12(16)7-9-15/h3-5,12,16H,1,6-10,14H2,2H3/b11-5-,13-4+
InChIKeyVLVKHQSNHKUHKA-XVJKMRDASA-N
MW222.33 g/mol
LogP1.42
Rot. Bonds4

About 1-[(2Z)-2-[(E)-1-aminoprop-1-enyl]penta-2,4-dienyl]piperidin-4-ol

1-[(2Z)-2-[(E)-1-aminoprop-1-enyl]penta-2,4-dienyl]piperidin-4-ol (PubChem CID 88905165) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-[(2Z)-2-[(E)-1-aminoprop-1-enyl]penta-2,4-dienyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[(2Z)-2-[(E)-1-aminoprop-1-enyl]penta-2,4-dienyl]piperidin-4-ol
PubChem CID88905165
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-[(2Z)-2-[(E)-1-aminoprop-1-enyl]penta-2,4-dienyl]piperidin-4-ol
SMILESC=C/C=C(CN1CCC(O)CC1)\C(N)=C/C
InChIInChI=1S/C13H22N2O/c1-3-5-11(13(14)4-2)10-15-8-6-12(16)7-9-15/h3-5,12,16H,1,6-10,14H2,2H3/b11-5-,13-4+
InChIKeyVLVKHQSNHKUHKA-XVJKMRDASA-N
XLogP1.42
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.42
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

1-[(2Z)-2-[(E)-1-aminoprop-1-enyl]penta-2,4-dienyl]pyrrolidin-3-ol
CID 88905162
1-(4-Aminocyclohexa-1,5-dien-1-yl)piperidin-4-ol
CID 89073983
1-(1-Aminohepta-2,4-dien-4-yl)piperidin-4-ol
CID 123300699
4-Amino-7-(4-hydroxypiperidin-1-yl)cyclohepta-1,4,6-triene-1-carbonitrile
CID 142114224
1-[(2E,4Z)-5-methylhepta-2,4,6-trien-2-yl]piperidin-4-ol
CID 142260643
1-[(3Z,5Z)-4-methyl-3-(methylamino)hepta-3,5-dien-2-yl]piperidin-4-ol
CID 142300542
1-[(3Z,5Z)-2-methylidenehepta-3,5-dienyl]piperidin-4-ol
CID 143718323
Ethane;1-[2-(methylamino)cyclohexa-1,3-dien-1-yl]piperidin-4-ol
CID 143800922
1-[[(1Z,3Z,7E)-8-aminocycloocta-1,3,7-trien-1-yl]methyl]piperidin-4-ol
CID 144251623
1-[(E,2Z)-3-amino-2-prop-2-enylidenehex-3-enyl]pyrrolidin-3-ol
CID 144251626
1-[(3Z)-3-[(propan-2-ylamino)methyl]penta-1,3-dien-2-yl]piperidin-4-ol
CID 144862322
1-[(1E,3Z)-1,4-diamino-5,5-dimethylhexa-1,3-dienyl]piperidin-4-ol
CID 145197593

Frequently Asked Questions

What is the IUPAC name of 1-[(2Z)-2-[(E)-1-aminoprop-1-enyl]penta-2,4-dienyl]piperidin-4-ol?
The IUPAC name of 1-[(2Z)-2-[(E)-1-aminoprop-1-enyl]penta-2,4-dienyl]piperidin-4-ol (CID 88905165) is 1-[(2Z)-2-[(E)-1-aminoprop-1-enyl]penta-2,4-dienyl]piperidin-4-ol.
What is the SMILES notation for 1-[(2Z)-2-[(E)-1-aminoprop-1-enyl]penta-2,4-dienyl]piperidin-4-ol?
The canonical SMILES for 1-[(2Z)-2-[(E)-1-aminoprop-1-enyl]penta-2,4-dienyl]piperidin-4-ol is C=C/C=C(CN1CCC(O)CC1)\C(N)=C/C.
What is the InChIKey of 1-[(2Z)-2-[(E)-1-aminoprop-1-enyl]penta-2,4-dienyl]piperidin-4-ol?
The InChIKey is VLVKHQSNHKUHKA-XVJKMRDASA-N. The full InChI is InChI=1S/C13H22N2O/c1-3-5-11(13(14)4-2)10-15-8-6-12(16)7-9-15/h3-5,12,16H,1,6-10,14H2,2H3/b11-5-,13-4+.
What are the key properties of 1-[(2Z)-2-[(E)-1-aminoprop-1-enyl]penta-2,4-dienyl]piperidin-4-ol?
1-[(2Z)-2-[(E)-1-aminoprop-1-enyl]penta-2,4-dienyl]piperidin-4-ol has a molecular weight of 222.33 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2Z)-2-[(E)-1-aminoprop-1-enyl]penta-2,4-dienyl]piperidin-4-ol is sourced from PubChem (CID 88905165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).