1-[(2Z,4Z)-2-(methylamino)hepta-2,4,6-trien-3-yl]piperidin-4-ol

C13H22N2O — CID 143800909

IUPAC1-[(2Z,4Z)-2-(methylamino)hepta-2,4,6-trien-3-yl]piperidin-4-ol
SMILESC=C/C=C\C(=C(/C)NC)N1CCC(O)CC1
InChIInChI=1S/C13H22N2O/c1-4-5-6-13(11(2)14-3)15-9-7-12(16)8-10-15/h4-6,12,14,16H,1,7-10H2,2-3H3/b6-5-,13-11-
InChIKeyNFEGCPCDGLNMFI-VNWVSWPHSA-N
MW222.33 g/mol
LogP1.64
Rot. Bonds4

About 1-[(2Z,4Z)-2-(methylamino)hepta-2,4,6-trien-3-yl]piperidin-4-ol

1-[(2Z,4Z)-2-(methylamino)hepta-2,4,6-trien-3-yl]piperidin-4-ol (PubChem CID 143800909) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-[(2Z,4Z)-2-(methylamino)hepta-2,4,6-trien-3-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[(2Z,4Z)-2-(methylamino)hepta-2,4,6-trien-3-yl]piperidin-4-ol
PubChem CID143800909
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-[(2Z,4Z)-2-(methylamino)hepta-2,4,6-trien-3-yl]piperidin-4-ol
SMILESC=C/C=C\C(=C(/C)NC)N1CCC(O)CC1
InChIInChI=1S/C13H22N2O/c1-4-5-6-13(11(2)14-3)15-9-7-12(16)8-10-15/h4-6,12,14,16H,1,7-10H2,2-3H3/b6-5-,13-11-
InChIKeyNFEGCPCDGLNMFI-VNWVSWPHSA-N
XLogP1.64
TPSA35.50 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 ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[(2Z,4Z)-2-(methylamino)hepta-2,4,6-trien-3-yl]piperidin-4-ol with MolForge

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Related Compounds

1-(1-Aminohepta-2,4-dien-4-yl)piperidin-4-ol
CID 123300699
1-[(1E,3Z)-1,4-diaminopenta-1,3-dienyl]piperidin-4-ol
CID 134406174
1-(5-Amino-1,2-dihydropyridin-4-yl)piperidin-4-ol
CID 138645646
1-[(3Z,5Z)-4-methyl-3-(methylamino)hepta-3,5-dien-2-yl]piperidin-4-ol
CID 142300542
ethane;(3E,5Z)-4-nitrohepta-1,3,5-triene;piperidin-4-ol
CID 143496488
Ethane;1-[2-(methylamino)cyclohexa-1,3-dien-1-yl]piperidin-4-ol
CID 143800922
1-[(3Z)-3-[(propan-2-ylamino)methyl]penta-1,3-dien-2-yl]piperidin-4-ol
CID 144862322
1-[(3E)-penta-1,3-dien-3-yl]piperidin-4-ol
CID 145169483
4-[[(3Z)-5-aminohexa-1,3,5-trien-2-yl]-methylamino]butan-2-ol
CID 155721816
5-(4-Methoxypiperidin-1-yl)-1,2-dihydropyridine
CID 173522030
1-(2-Aminocyclohexa-1,5-dien-1-yl)piperidin-4-ol
CID 174268396
4-[[1-(3-Methylbut-2-enyl)piperidin-4-yl]amino]butan-2-ol
CID 64911106

Frequently Asked Questions

What is the IUPAC name of 1-[(2Z,4Z)-2-(methylamino)hepta-2,4,6-trien-3-yl]piperidin-4-ol?
The IUPAC name of 1-[(2Z,4Z)-2-(methylamino)hepta-2,4,6-trien-3-yl]piperidin-4-ol (CID 143800909) is 1-[(2Z,4Z)-2-(methylamino)hepta-2,4,6-trien-3-yl]piperidin-4-ol.
What is the SMILES notation for 1-[(2Z,4Z)-2-(methylamino)hepta-2,4,6-trien-3-yl]piperidin-4-ol?
The canonical SMILES for 1-[(2Z,4Z)-2-(methylamino)hepta-2,4,6-trien-3-yl]piperidin-4-ol is C=C/C=C\C(=C(/C)NC)N1CCC(O)CC1.
What is the InChIKey of 1-[(2Z,4Z)-2-(methylamino)hepta-2,4,6-trien-3-yl]piperidin-4-ol?
The InChIKey is NFEGCPCDGLNMFI-VNWVSWPHSA-N. The full InChI is InChI=1S/C13H22N2O/c1-4-5-6-13(11(2)14-3)15-9-7-12(16)8-10-15/h4-6,12,14,16H,1,7-10H2,2-3H3/b6-5-,13-11-.
What are the key properties of 1-[(2Z,4Z)-2-(methylamino)hepta-2,4,6-trien-3-yl]piperidin-4-ol?
1-[(2Z,4Z)-2-(methylamino)hepta-2,4,6-trien-3-yl]piperidin-4-ol has a molecular weight of 222.33 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2Z,4Z)-2-(methylamino)hepta-2,4,6-trien-3-yl]piperidin-4-ol is sourced from PubChem (CID 143800909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).