(Z,2E)-2-ethylidene-N'-(2-hydroxy-3-piperidin-1-ylpropoxy)-5-(methylamino)pent-3-enimidamide

C16H30N4O2 — CID 144530510

IUPAC(Z,2E)-2-ethylidene-N'-(2-hydroxy-3-piperidin-1-ylpropoxy)-5-(methylamino)pent-3-enimidamide
SMILESC/C=C(\C=C/CNC)C(/N)=N/OCC(O)CN1CCCCC1
InChIInChI=1S/C16H30N4O2/c1-3-14(8-7-9-18-2)16(17)19-22-13-15(21)12-20-10-5-4-6-11-20/h3,7-8,15,18,21H,4-6,9-13H2,1-2H3,(H2,17,19)/b8-7-,14-3+
InChIKeyNWTXQMSMHCFLQC-ABUIMMHISA-N
MW310.44 g/mol
LogP0.84
Rot. Bonds9

About (Z,2E)-2-ethylidene-N'-(2-hydroxy-3-piperidin-1-ylpropoxy)-5-(methylamino)pent-3-enimidamide

(Z,2E)-2-ethylidene-N'-(2-hydroxy-3-piperidin-1-ylpropoxy)-5-(methylamino)pent-3-enimidamide (PubChem CID 144530510) has the molecular formula C16H30N4O2 and a molecular weight of 310.44 g/mol. Its IUPAC name is (Z,2E)-2-ethylidene-N'-(2-hydroxy-3-piperidin-1-ylpropoxy)-5-(methylamino)pent-3-enimidamide.

Molecular Properties

Compound Name(Z,2E)-2-ethylidene-N'-(2-hydroxy-3-piperidin-1-ylpropoxy)-5-(methylamino)pent-3-enimidamide
PubChem CID144530510
Molecular FormulaC16H30N4O2
Molecular Weight310.44 g/mol
Exact Mass310.24
IUPAC Name(Z,2E)-2-ethylidene-N'-(2-hydroxy-3-piperidin-1-ylpropoxy)-5-(methylamino)pent-3-enimidamide
SMILESC/C=C(\C=C/CNC)C(/N)=N/OCC(O)CN1CCCCC1
InChIInChI=1S/C16H30N4O2/c1-3-14(8-7-9-18-2)16(17)19-22-13-15(21)12-20-10-5-4-6-11-20/h3,7-8,15,18,21H,4-6,9-13H2,1-2H3,(H2,17,19)/b8-7-,14-3+
InChIKeyNWTXQMSMHCFLQC-ABUIMMHISA-N
XLogP0.84
TPSA83.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(1-amino-2-ethylidenehex-3-enylidene)-(2-hydroxy-3-piperidin-1-ylpropoxy)-methylazanium
CID 123523479
N-(2-hydroxy-3-piperidin-1-ylpropoxy)-3-phenylprop-2-enimidoyl chloride
CID 73432834
(4Z)-N-[(2S)-2-hydroxy-3-piperidin-1-ylpropoxy]-4-methylpiperidine-4-carboximidoyl chloride
CID 172516437
N'-[(2R)-2-hydroxy-3-piperidin-1-ylpropoxy]pyridine-3-carboximidamide
CID 76956160
1-hydroxy-N'-(2-hydroxy-3-piperidin-1-ylpropoxy)pyridin-1-ium-3-carboximidamide
CID 164938287
(1Z,2E,4Z)-2-ethenyl-N-(2-hydroxy-3-piperidin-1-ylpropoxy)-5-nitrosopenta-2,4-dienimidoyl chloride
CID 167080244
1-[(E)-2-methylbut-2-enoxy]-3-pyrrolidin-1-ylpropan-2-ol
CID 88616223
(Z)-but-2-enedioic acid;N-(2-hydroxy-3-piperidin-1-ylpropoxy)-1-oxidopyridin-1-ium-3-carboximidoyl chloride
CID 87879747
1-[di(thiophen-3-yl)methylideneamino]oxy-3-piperidin-1-ylpropan-2-ol
CID 110183081
1-chloro-3-piperidin-1-ylpropan-2-ol;N'-(2-hydroxy-3-piperidin-1-ylpropoxy)-3,3-diphenylpropanimidamide;dihydrochloride
CID 173436955
N-(2-hydroxy-3-piperidin-1-ylpropoxy)-2H-quinoline-1-carboximidoyl chloride
CID 150474069
1,3-dipyrrolidin-1-ylpropan-2-ol
CID 57126359

Frequently Asked Questions

What is the IUPAC name of (Z,2E)-2-ethylidene-N'-(2-hydroxy-3-piperidin-1-ylpropoxy)-5-(methylamino)pent-3-enimidamide?
The IUPAC name of (Z,2E)-2-ethylidene-N'-(2-hydroxy-3-piperidin-1-ylpropoxy)-5-(methylamino)pent-3-enimidamide (CID 144530510) is (Z,2E)-2-ethylidene-N'-(2-hydroxy-3-piperidin-1-ylpropoxy)-5-(methylamino)pent-3-enimidamide.
What is the SMILES notation for (Z,2E)-2-ethylidene-N'-(2-hydroxy-3-piperidin-1-ylpropoxy)-5-(methylamino)pent-3-enimidamide?
The canonical SMILES for (Z,2E)-2-ethylidene-N'-(2-hydroxy-3-piperidin-1-ylpropoxy)-5-(methylamino)pent-3-enimidamide is C/C=C(\C=C/CNC)C(/N)=N/OCC(O)CN1CCCCC1.
What is the InChIKey of (Z,2E)-2-ethylidene-N'-(2-hydroxy-3-piperidin-1-ylpropoxy)-5-(methylamino)pent-3-enimidamide?
The InChIKey is NWTXQMSMHCFLQC-ABUIMMHISA-N. The full InChI is InChI=1S/C16H30N4O2/c1-3-14(8-7-9-18-2)16(17)19-22-13-15(21)12-20-10-5-4-6-11-20/h3,7-8,15,18,21H,4-6,9-13H2,1-2H3,(H2,17,19)/b8-7-,14-3+.
What are the key properties of (Z,2E)-2-ethylidene-N'-(2-hydroxy-3-piperidin-1-ylpropoxy)-5-(methylamino)pent-3-enimidamide?
(Z,2E)-2-ethylidene-N'-(2-hydroxy-3-piperidin-1-ylpropoxy)-5-(methylamino)pent-3-enimidamide has a molecular weight of 310.44 g/mol, XLogP of 0.84, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2E)-2-ethylidene-N'-(2-hydroxy-3-piperidin-1-ylpropoxy)-5-(methylamino)pent-3-enimidamide is sourced from PubChem (CID 144530510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).