1-[(2Z,4E)-hepta-2,4-dien-4-yl]piperidin-4-amine

C12H22N2 — CID 142872816

IUPAC1-[(2Z,4E)-hepta-2,4-dien-4-yl]piperidin-4-amine
SMILESC/C=C\C(=C/CC)N1CCC(N)CC1
InChIInChI=1S/C12H22N2/c1-3-5-12(6-4-2)14-9-7-11(13)8-10-14/h3,5-6,11H,4,7-10,13H2,1-2H3/b5-3-,12-6+
InChIKeyHSOIVSHDESFTSN-YXMBOXQASA-N
MW194.32 g/mol
LogP2.28
Rot. Bonds3

About 1-[(2Z,4E)-hepta-2,4-dien-4-yl]piperidin-4-amine

1-[(2Z,4E)-hepta-2,4-dien-4-yl]piperidin-4-amine (PubChem CID 142872816) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 1-[(2Z,4E)-hepta-2,4-dien-4-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[(2Z,4E)-hepta-2,4-dien-4-yl]piperidin-4-amine
PubChem CID142872816
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name1-[(2Z,4E)-hepta-2,4-dien-4-yl]piperidin-4-amine
SMILESC/C=C\C(=C/CC)N1CCC(N)CC1
InChIInChI=1S/C12H22N2/c1-3-5-12(6-4-2)14-9-7-11(13)8-10-14/h3,5-6,11H,4,7-10,13H2,1-2H3/b5-3-,12-6+
InChIKeyHSOIVSHDESFTSN-YXMBOXQASA-N
XLogP2.28
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z,2E)-5-fluoro-2-propylidenehex-3-enyl]-1-methylpiperidin-4-amine
CID 143209317
(2E)-6-fluoro-2-methyl-7-piperidin-1-ylocta-2,5,7-trien-1-amine
CID 144045723
N-[(3Z)-5-fluoro-2-methylidenehexa-3,5-dienyl]-1-methylpiperidin-4-amine
CID 145515573
N-[(2E)-2-[(Z)-3-fluoroprop-1-enyl]penta-2,4-dienyl]-1-methylpiperidin-4-amine
CID 145520189
5-Fluoro-4-piperidin-1-ylcyclohexa-1,5-dien-1-amine
CID 146517316
6-bromo-1-(3-fluoropiperidin-4-yl)-2-methyl-2H-pyridine
CID 162526561
N-[(3Z,5E)-5-fluoro-2-methylidenehepta-3,5-dienyl]-1-methylpiperidin-4-amine
CID 164158806
(3S,4R)-3-fluoro-1-methyl-N-[(3Z)-7-methylocta-1,3-dien-2-yl]piperidin-4-amine
CID 167291286
1-(2-Fluoro-6-methylcyclohexa-1,5-dien-1-yl)piperidin-4-amine
CID 176552600
2-(1-methyl-2H-pyridin-6-yl)ethanamine
CID 17953340
1-piperidin-4-yl-2H-pyridin-4-amine
CID 19068126
1-(7-bicyclo[4.2.0]octa-1(8),2,4,6-tetraenyl)-N-methylpiperidin-4-amine
CID 19761289

Frequently Asked Questions

What is the IUPAC name of 1-[(2Z,4E)-hepta-2,4-dien-4-yl]piperidin-4-amine?
The IUPAC name of 1-[(2Z,4E)-hepta-2,4-dien-4-yl]piperidin-4-amine (CID 142872816) is 1-[(2Z,4E)-hepta-2,4-dien-4-yl]piperidin-4-amine.
What is the SMILES notation for 1-[(2Z,4E)-hepta-2,4-dien-4-yl]piperidin-4-amine?
The canonical SMILES for 1-[(2Z,4E)-hepta-2,4-dien-4-yl]piperidin-4-amine is C/C=C\C(=C/CC)N1CCC(N)CC1.
What is the InChIKey of 1-[(2Z,4E)-hepta-2,4-dien-4-yl]piperidin-4-amine?
The InChIKey is HSOIVSHDESFTSN-YXMBOXQASA-N. The full InChI is InChI=1S/C12H22N2/c1-3-5-12(6-4-2)14-9-7-11(13)8-10-14/h3,5-6,11H,4,7-10,13H2,1-2H3/b5-3-,12-6+.
What are the key properties of 1-[(2Z,4E)-hepta-2,4-dien-4-yl]piperidin-4-amine?
1-[(2Z,4E)-hepta-2,4-dien-4-yl]piperidin-4-amine has a molecular weight of 194.32 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2Z,4E)-hepta-2,4-dien-4-yl]piperidin-4-amine is sourced from PubChem (CID 142872816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).