(1E,3Z)-2-(4-morpholin-4-ylpiperidin-1-yl)hexa-1,3,5-triene-1,5-diamine

C15H26N4O — CID 87688572

IUPAC(1E,3Z)-2-(4-morpholin-4-ylpiperidin-1-yl)hexa-1,3,5-triene-1,5-diamine
SMILESC=C(N)/C=C\C(=C/N)N1CCC(N2CCOCC2)CC1
InChIInChI=1S/C15H26N4O/c1-13(17)2-3-15(12-16)18-6-4-14(5-7-18)19-8-10-20-11-9-19/h2-3,12,14H,1,4-11,16-17H2/b3-2-,15-12+
InChIKeyMPYKFMVISCJBBN-YCCFYQKASA-N
MW278.40 g/mol
LogP0.61
Rot. Bonds4

About (1E,3Z)-2-(4-morpholin-4-ylpiperidin-1-yl)hexa-1,3,5-triene-1,5-diamine

(1E,3Z)-2-(4-morpholin-4-ylpiperidin-1-yl)hexa-1,3,5-triene-1,5-diamine (PubChem CID 87688572) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is (1E,3Z)-2-(4-morpholin-4-ylpiperidin-1-yl)hexa-1,3,5-triene-1,5-diamine.

Molecular Properties

Compound Name(1E,3Z)-2-(4-morpholin-4-ylpiperidin-1-yl)hexa-1,3,5-triene-1,5-diamine
PubChem CID87688572
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name(1E,3Z)-2-(4-morpholin-4-ylpiperidin-1-yl)hexa-1,3,5-triene-1,5-diamine
SMILESC=C(N)/C=C\C(=C/N)N1CCC(N2CCOCC2)CC1
InChIInChI=1S/C15H26N4O/c1-13(17)2-3-15(12-16)18-6-4-14(5-7-18)19-8-10-20-11-9-19/h2-3,12,14H,1,4-11,16-17H2/b3-2-,15-12+
InChIKeyMPYKFMVISCJBBN-YCCFYQKASA-N
XLogP0.61
TPSA67.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1E,3Z)-2-(4-morpholin-4-ylpiperidin-1-yl)hexa-1,3,5-triene-1,5-diamine?
The IUPAC name of (1E,3Z)-2-(4-morpholin-4-ylpiperidin-1-yl)hexa-1,3,5-triene-1,5-diamine (CID 87688572) is (1E,3Z)-2-(4-morpholin-4-ylpiperidin-1-yl)hexa-1,3,5-triene-1,5-diamine.
What is the SMILES notation for (1E,3Z)-2-(4-morpholin-4-ylpiperidin-1-yl)hexa-1,3,5-triene-1,5-diamine?
The canonical SMILES for (1E,3Z)-2-(4-morpholin-4-ylpiperidin-1-yl)hexa-1,3,5-triene-1,5-diamine is C=C(N)/C=C\C(=C/N)N1CCC(N2CCOCC2)CC1.
What is the InChIKey of (1E,3Z)-2-(4-morpholin-4-ylpiperidin-1-yl)hexa-1,3,5-triene-1,5-diamine?
The InChIKey is MPYKFMVISCJBBN-YCCFYQKASA-N. The full InChI is InChI=1S/C15H26N4O/c1-13(17)2-3-15(12-16)18-6-4-14(5-7-18)19-8-10-20-11-9-19/h2-3,12,14H,1,4-11,16-17H2/b3-2-,15-12+.
What are the key properties of (1E,3Z)-2-(4-morpholin-4-ylpiperidin-1-yl)hexa-1,3,5-triene-1,5-diamine?
(1E,3Z)-2-(4-morpholin-4-ylpiperidin-1-yl)hexa-1,3,5-triene-1,5-diamine has a molecular weight of 278.40 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-2-(4-morpholin-4-ylpiperidin-1-yl)hexa-1,3,5-triene-1,5-diamine is sourced from PubChem (CID 87688572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).