1-(1-cyclohexa-1,4-dien-1-ylethyl)piperidin-4-amine

C13H22N2 — CID 70607899

IUPAC1-(1-cyclohexa-1,4-dien-1-ylethyl)piperidin-4-amine
SMILESCC(C1=CCC=CC1)N1CCC(N)CC1
InChIInChI=1S/C13H22N2/c1-11(12-5-3-2-4-6-12)15-9-7-13(14)8-10-15/h2-3,6,11,13H,4-5,7-10,14H2,1H3
InChIKeyUAXZUYLPYORRNM-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.07
Rot. Bonds2

About 1-(1-cyclohexa-1,4-dien-1-ylethyl)piperidin-4-amine

1-(1-cyclohexa-1,4-dien-1-ylethyl)piperidin-4-amine (PubChem CID 70607899) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 1-(1-cyclohexa-1,4-dien-1-ylethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-(1-cyclohexa-1,4-dien-1-ylethyl)piperidin-4-amine
PubChem CID70607899
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name1-(1-cyclohexa-1,4-dien-1-ylethyl)piperidin-4-amine
SMILESCC(C1=CCC=CC1)N1CCC(N)CC1
InChIInChI=1S/C13H22N2/c1-11(12-5-3-2-4-6-12)15-9-7-13(14)8-10-15/h2-3,6,11,13H,4-5,7-10,14H2,1H3
InChIKeyUAXZUYLPYORRNM-UHFFFAOYSA-N
XLogP2.07
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(Cyclohex-3-en-1-ylmethyl)piperidin-4-amine
CID 53407205
1-(1-Methyl-1,2,3,6-tetrahydropyridin-4-yl)ethan-1-amine
CID 71758631
1-(3-Methylbut-2-en-1-yl)piperidin-4-amine
CID 43556892
1-[(Cyclohex-1-en-1-yl)methyl]piperidin-4-amine dihydrochloride
CID 126809544
N-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-1-methylpiperidin-4-amine
CID 70325320
1-[(Cyclohex-1-en-1-yl)methyl]piperidin-4-amine
CID 86678245
N-[(Z,2E)-5-fluoro-2-propylidenehex-3-enyl]-1-methylpiperidin-4-amine
CID 143209317
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
1-[(3,5-Difluorocyclohexa-1,5-dien-1-yl)methyl]piperidin-4-amine
CID 163724671
N-[(3Z,5E)-5-fluoro-2-methylidenehepta-3,5-dienyl]-1-methylpiperidin-4-amine
CID 164158806
1-(2-Fluoro-6-methylcyclohexa-1,5-dien-1-yl)piperidin-4-amine
CID 176552600

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexa-1,4-dien-1-ylethyl)piperidin-4-amine?
The IUPAC name of 1-(1-cyclohexa-1,4-dien-1-ylethyl)piperidin-4-amine (CID 70607899) is 1-(1-cyclohexa-1,4-dien-1-ylethyl)piperidin-4-amine.
What is the SMILES notation for 1-(1-cyclohexa-1,4-dien-1-ylethyl)piperidin-4-amine?
The canonical SMILES for 1-(1-cyclohexa-1,4-dien-1-ylethyl)piperidin-4-amine is CC(C1=CCC=CC1)N1CCC(N)CC1.
What is the InChIKey of 1-(1-cyclohexa-1,4-dien-1-ylethyl)piperidin-4-amine?
The InChIKey is UAXZUYLPYORRNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-11(12-5-3-2-4-6-12)15-9-7-13(14)8-10-15/h2-3,6,11,13H,4-5,7-10,14H2,1H3.
What are the key properties of 1-(1-cyclohexa-1,4-dien-1-ylethyl)piperidin-4-amine?
1-(1-cyclohexa-1,4-dien-1-ylethyl)piperidin-4-amine has a molecular weight of 206.33 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexa-1,4-dien-1-ylethyl)piperidin-4-amine is sourced from PubChem (CID 70607899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).