1-[(3E,5Z)-6-aminohepta-1,3,5-trien-4-yl]piperidin-4-amine

C12H21N3 — CID 88916911

IUPAC1-[(3E,5Z)-6-aminohepta-1,3,5-trien-4-yl]piperidin-4-amine
SMILESC=C/C=C(\C=C(\C)N)N1CCC(N)CC1
InChIInChI=1S/C12H21N3/c1-3-4-12(9-10(2)13)15-7-5-11(14)6-8-15/h3-4,9,11H,1,5-8,13-14H2,2H3/b10-9-,12-4+
InChIKeySSDNBHDHIPWLEP-MMQHMWHNSA-N
MW207.32 g/mol
LogP1.34
Rot. Bonds3

About 1-[(3E,5Z)-6-aminohepta-1,3,5-trien-4-yl]piperidin-4-amine

1-[(3E,5Z)-6-aminohepta-1,3,5-trien-4-yl]piperidin-4-amine (PubChem CID 88916911) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-[(3E,5Z)-6-aminohepta-1,3,5-trien-4-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[(3E,5Z)-6-aminohepta-1,3,5-trien-4-yl]piperidin-4-amine
PubChem CID88916911
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name1-[(3E,5Z)-6-aminohepta-1,3,5-trien-4-yl]piperidin-4-amine
SMILESC=C/C=C(\C=C(\C)N)N1CCC(N)CC1
InChIInChI=1S/C12H21N3/c1-3-4-12(9-10(2)13)15-7-5-11(14)6-8-15/h3-4,9,11H,1,5-8,13-14H2,2H3/b10-9-,12-4+
InChIKeySSDNBHDHIPWLEP-MMQHMWHNSA-N
XLogP1.34
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[(3E,5Z)-6-aminohepta-1,3,5-trien-4-yl]piperidin-4-amine 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

1-[(3R)-3-fluoro-1-methylpiperidin-4-yl]-2H-pyridin-3-amine
CID 137449696
1-[(3S)-3-fluoro-1-methylpiperidin-4-yl]-2H-pyridin-3-amine
CID 139383769
1-[1-(2-fluoroethyl)piperidin-4-yl]-2H-pyridin-3-amine
CID 139383870
5-fluoro-1-(1-methylpiperidin-4-yl)-2H-pyridin-3-amine
CID 139390472
(3E)-4-fluoro-5-piperidin-1-ylhexa-1,3,5-trien-2-amine
CID 143599145
(1Z,3E)-3-fluoro-2-piperidin-1-ylhexa-1,3,5-trien-1-amine
CID 144287729
N-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]piperidin-4-amine
CID 145284766
(1Z,3Z)-2-fluoro-N'-methyl-N-piperidin-4-ylpenta-1,3-diene-1,5-diamine
CID 156450873
(2Z,4Z)-3-(4-fluoropiperidin-1-yl)hepta-2,4,6-trien-2-amine
CID 156739146
1-methyl-N-(prop-2-en-1-yl)piperidin-4-amine
CID 4711811
1-(Prop-2-en-1-yl)piperidin-4-amine
CID 18002016
1-(1-methylpiperidin-4-yl)-2H-pyridine
CID 18335516

Frequently Asked Questions

What is the IUPAC name of 1-[(3E,5Z)-6-aminohepta-1,3,5-trien-4-yl]piperidin-4-amine?
The IUPAC name of 1-[(3E,5Z)-6-aminohepta-1,3,5-trien-4-yl]piperidin-4-amine (CID 88916911) is 1-[(3E,5Z)-6-aminohepta-1,3,5-trien-4-yl]piperidin-4-amine.
What is the SMILES notation for 1-[(3E,5Z)-6-aminohepta-1,3,5-trien-4-yl]piperidin-4-amine?
The canonical SMILES for 1-[(3E,5Z)-6-aminohepta-1,3,5-trien-4-yl]piperidin-4-amine is C=C/C=C(\C=C(\C)N)N1CCC(N)CC1.
What is the InChIKey of 1-[(3E,5Z)-6-aminohepta-1,3,5-trien-4-yl]piperidin-4-amine?
The InChIKey is SSDNBHDHIPWLEP-MMQHMWHNSA-N. The full InChI is InChI=1S/C12H21N3/c1-3-4-12(9-10(2)13)15-7-5-11(14)6-8-15/h3-4,9,11H,1,5-8,13-14H2,2H3/b10-9-,12-4+.
What are the key properties of 1-[(3E,5Z)-6-aminohepta-1,3,5-trien-4-yl]piperidin-4-amine?
1-[(3E,5Z)-6-aminohepta-1,3,5-trien-4-yl]piperidin-4-amine has a molecular weight of 207.32 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3E,5Z)-6-aminohepta-1,3,5-trien-4-yl]piperidin-4-amine is sourced from PubChem (CID 88916911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).