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

C10H20N4O — CID 167157904

IUPAC(3E)-3-methoxy-4-piperidin-4-ylbuta-1,3-diene-1,1,4-triamine
SMILESCO/C(C=C(N)N)=C(/N)C1CCNCC1
InChIInChI=1S/C10H20N4O/c1-15-8(6-9(11)12)10(13)7-2-4-14-5-3-7/h6-7,14H,2-5,11-13H2,1H3/b10-8+
InChIKeyVLXFUBCRGXHYOA-CSKARUKUSA-N
MW212.30 g/mol
LogP-0.44
Rot. Bonds3

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

(3E)-3-methoxy-4-piperidin-4-ylbuta-1,3-diene-1,1,4-triamine (PubChem CID 167157904) has the molecular formula C10H20N4O and a molecular weight of 212.30 g/mol. Its IUPAC name is (3E)-3-methoxy-4-piperidin-4-ylbuta-1,3-diene-1,1,4-triamine.

Molecular Properties

Compound Name(3E)-3-methoxy-4-piperidin-4-ylbuta-1,3-diene-1,1,4-triamine
PubChem CID167157904
Molecular FormulaC10H20N4O
Molecular Weight212.30 g/mol
Exact Mass212.16
IUPAC Name(3E)-3-methoxy-4-piperidin-4-ylbuta-1,3-diene-1,1,4-triamine
SMILESCO/C(C=C(N)N)=C(/N)C1CCNCC1
InChIInChI=1S/C10H20N4O/c1-15-8(6-9(11)12)10(13)7-2-4-14-5-3-7/h6-7,14H,2-5,11-13H2,1H3/b10-8+
InChIKeyVLXFUBCRGXHYOA-CSKARUKUSA-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'}

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Related Compounds

4-[(2E,4E)-5-methoxyhepta-2,4,6-trien-2-yl]piperidine
CID 88308841
4-Methoxy-3-piperidin-4-yl-1,2-dihydropyridine
CID 118610283
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-[(3Z)-4-methoxyhexa-1,3,5-trien-3-yl]piperidine
CID 143617057
(3E)-N-methyl-5-piperidin-4-yl-3-propan-2-yloxyhexa-1,3,5-trien-2-amine
CID 143694645
4-[(3E,5Z)-3-methoxyocta-1,3,5-trien-4-yl]piperidine
CID 144378253
(3Z)-2-methoxy-4-piperidin-4-ylbuta-1,3-diene-1,1,4-triamine
CID 167157907
4-Methoxy-3-piperidin-4-yl-1,2-dihydropyridin-6-amine;dihydrochloride
CID 175051384
(3Z)-N-(1-methoxyethenyl)-3-piperidin-4-ylhepta-1,3-dien-4-amine
CID 142167682
4-[(3Z)-4-methoxyhexa-1,3,5-trien-3-yl]piperidine
CID 143617058

Frequently Asked Questions

What is the IUPAC name of (3E)-3-methoxy-4-piperidin-4-ylbuta-1,3-diene-1,1,4-triamine?
The IUPAC name of (3E)-3-methoxy-4-piperidin-4-ylbuta-1,3-diene-1,1,4-triamine (CID 167157904) is (3E)-3-methoxy-4-piperidin-4-ylbuta-1,3-diene-1,1,4-triamine.
What is the SMILES notation for (3E)-3-methoxy-4-piperidin-4-ylbuta-1,3-diene-1,1,4-triamine?
The canonical SMILES for (3E)-3-methoxy-4-piperidin-4-ylbuta-1,3-diene-1,1,4-triamine is CO/C(C=C(N)N)=C(/N)C1CCNCC1.
What is the InChIKey of (3E)-3-methoxy-4-piperidin-4-ylbuta-1,3-diene-1,1,4-triamine?
The InChIKey is VLXFUBCRGXHYOA-CSKARUKUSA-N. The full InChI is InChI=1S/C10H20N4O/c1-15-8(6-9(11)12)10(13)7-2-4-14-5-3-7/h6-7,14H,2-5,11-13H2,1H3/b10-8+.
What are the key properties of (3E)-3-methoxy-4-piperidin-4-ylbuta-1,3-diene-1,1,4-triamine?
(3E)-3-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 (3E)-3-methoxy-4-piperidin-4-ylbuta-1,3-diene-1,1,4-triamine is sourced from PubChem (CID 167157904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).