(3Z)-2-methoxy-4-piperidin-4-ylbuta-1,3-diene-1,1,4-triamine

C10H20N4O — CID 167157907

IUPAC(3Z)-2-methoxy-4-piperidin-4-ylbuta-1,3-diene-1,1,4-triamine
SMILESCOC(/C=C(\N)C1CCNCC1)=C(N)N
InChIInChI=1S/C10H20N4O/c1-15-9(10(12)13)6-8(11)7-2-4-14-5-3-7/h6-7,14H,2-5,11-13H2,1H3/b8-6-
InChIKeyQGJIFDLSJMPSIZ-VURMDHGXSA-N
MW212.30 g/mol
LogP-0.44
Rot. Bonds3

About (3Z)-2-methoxy-4-piperidin-4-ylbuta-1,3-diene-1,1,4-triamine

(3Z)-2-methoxy-4-piperidin-4-ylbuta-1,3-diene-1,1,4-triamine (PubChem CID 167157907) has the molecular formula C10H20N4O and a molecular weight of 212.30 g/mol. Its IUPAC name is (3Z)-2-methoxy-4-piperidin-4-ylbuta-1,3-diene-1,1,4-triamine.

Molecular Properties

Compound Name(3Z)-2-methoxy-4-piperidin-4-ylbuta-1,3-diene-1,1,4-triamine
PubChem CID167157907
Molecular FormulaC10H20N4O
Molecular Weight212.30 g/mol
Exact Mass212.16
IUPAC Name(3Z)-2-methoxy-4-piperidin-4-ylbuta-1,3-diene-1,1,4-triamine
SMILESCOC(/C=C(\N)C1CCNCC1)=C(N)N
InChIInChI=1S/C10H20N4O/c1-15-9(10(12)13)6-8(11)7-2-4-14-5-3-7/h6-7,14H,2-5,11-13H2,1H3/b8-6-
InChIKeyQGJIFDLSJMPSIZ-VURMDHGXSA-N
XLogP-0.44
TPSA99.32 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 5-0.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (3Z)-2-methoxy-4-piperidin-4-ylbuta-1,3-diene-1,1,4-triamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Methoxy-6-piperidin-4-yl-1,2-dihydropyridine
CID 118610408
N-(3-methoxy-1-piperidin-4-ylbuta-1,3-dienyl)methanimine
CID 123549216
6-Methoxy-4-piperidin-4-ylcyclohexa-1,5-dien-1-amine
CID 137483332
ethane;4-[(2Z,4Z)-3-methoxyhepta-2,4,6-trien-2-yl]piperidine
CID 143276794
4-[(1E,3Z,5Z)-3-ethenyl-4-methoxyhepta-1,3,5-trienyl]piperidine
CID 143792072
7-Methoxy-5-methyl-1,2,3,4,4a,5-hexahydroisoquinolin-6-amine
CID 144980700
8-methoxy-1-methyl-3,4,4a,5-tetrahydro-2H-quinolin-6-amine
CID 154207607
(3E)-3-methoxy-4-piperidin-4-ylbuta-1,3-diene-1,1,4-triamine
CID 167157904
CID 174027712
CID 174027712
4-[(2Z,4Z)-3-methoxyhepta-2,4,6-trien-2-yl]piperidine
CID 143276795
3-methoxy-4-methyl-N-propylcyclohexa-1,3-dien-1-amine
CID 144301236
(2E,4Z)-4-methoxy-6-methyl-5-(4-methylpiperidin-1-yl)hepta-2,4-dien-2-amine
CID 145630958

Frequently Asked Questions

What is the IUPAC name of (3Z)-2-methoxy-4-piperidin-4-ylbuta-1,3-diene-1,1,4-triamine?
The IUPAC name of (3Z)-2-methoxy-4-piperidin-4-ylbuta-1,3-diene-1,1,4-triamine (CID 167157907) is (3Z)-2-methoxy-4-piperidin-4-ylbuta-1,3-diene-1,1,4-triamine.
What is the SMILES notation for (3Z)-2-methoxy-4-piperidin-4-ylbuta-1,3-diene-1,1,4-triamine?
The canonical SMILES for (3Z)-2-methoxy-4-piperidin-4-ylbuta-1,3-diene-1,1,4-triamine is COC(/C=C(\N)C1CCNCC1)=C(N)N.
What is the InChIKey of (3Z)-2-methoxy-4-piperidin-4-ylbuta-1,3-diene-1,1,4-triamine?
The InChIKey is QGJIFDLSJMPSIZ-VURMDHGXSA-N. The full InChI is InChI=1S/C10H20N4O/c1-15-9(10(12)13)6-8(11)7-2-4-14-5-3-7/h6-7,14H,2-5,11-13H2,1H3/b8-6-.
What are the key properties of (3Z)-2-methoxy-4-piperidin-4-ylbuta-1,3-diene-1,1,4-triamine?
(3Z)-2-methoxy-4-piperidin-4-ylbuta-1,3-diene-1,1,4-triamine has a molecular weight of 212.30 g/mol, XLogP of -0.44, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-2-methoxy-4-piperidin-4-ylbuta-1,3-diene-1,1,4-triamine is sourced from PubChem (CID 167157907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).