4-(1-ethylpiperidin-4-yl)cyclohexa-2,4-dien-1-amine

C13H22N2 — CID 123529143

IUPAC4-(1-ethylpiperidin-4-yl)cyclohexa-2,4-dien-1-amine
SMILESCCN1CCC(C2=CCC(N)C=C2)CC1
InChIInChI=1S/C13H22N2/c1-2-15-9-7-12(8-10-15)11-3-5-13(14)6-4-11/h3-5,12-13H,2,6-10,14H2,1H3
InChIKeyFCHOHAPMVSPXOH-UHFFFAOYSA-N
MW206.33 g/mol
LogP1.93
Rot. Bonds2

About 4-(1-ethylpiperidin-4-yl)cyclohexa-2,4-dien-1-amine

4-(1-ethylpiperidin-4-yl)cyclohexa-2,4-dien-1-amine (PubChem CID 123529143) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 4-(1-ethylpiperidin-4-yl)cyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name4-(1-ethylpiperidin-4-yl)cyclohexa-2,4-dien-1-amine
PubChem CID123529143
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name4-(1-ethylpiperidin-4-yl)cyclohexa-2,4-dien-1-amine
SMILESCCN1CCC(C2=CCC(N)C=C2)CC1
InChIInChI=1S/C13H22N2/c1-2-15-9-7-12(8-10-15)11-3-5-13(14)6-4-11/h3-5,12-13H,2,6-10,14H2,1H3
InChIKeyFCHOHAPMVSPXOH-UHFFFAOYSA-N
XLogP1.93
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 ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(Cyclohex-3-en-1-ylmethyl)piperidin-4-amine
CID 53407205
Octahydro 4,4'-bipyridyl
CID 4867470
Hexahydroisoquinoline
CID 54394851
2-Ethyltetrahydroisoquinoline
CID 129739616
5-(Fluoromethyl)-6-piperidin-4-yl-1,2-dihydropyridine
CID 69107959
N-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]-1-methylpiperidin-4-amine
CID 70311004
N-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-1-methylpiperidin-4-amine
CID 70325320
4-[(3E,5E)-6-fluorohepta-1,3,5-trien-3-yl]piperidin-4-amine
CID 88582935
4-[1-(2-Fluoroethyl)piperidin-4-yl]hexa-2,4-dien-1-amine
CID 91377758
2-[2-(4-Ethyl-4-fluoropiperidin-1-yl)propyl]-4,5-dimethylhexa-2,4-dien-1-amine
CID 123501782
1-[4-[[Ethyl(methyl)amino]methyl]cyclohexa-1,5-dien-1-yl]-3-fluoropropan-2-amine
CID 129313214
4-Fluoro-1-(4-propan-2-ylcyclohexa-2,4-dien-1-yl)piperidine
CID 134376304

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethylpiperidin-4-yl)cyclohexa-2,4-dien-1-amine?
The IUPAC name of 4-(1-ethylpiperidin-4-yl)cyclohexa-2,4-dien-1-amine (CID 123529143) is 4-(1-ethylpiperidin-4-yl)cyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 4-(1-ethylpiperidin-4-yl)cyclohexa-2,4-dien-1-amine?
The canonical SMILES for 4-(1-ethylpiperidin-4-yl)cyclohexa-2,4-dien-1-amine is CCN1CCC(C2=CCC(N)C=C2)CC1.
What is the InChIKey of 4-(1-ethylpiperidin-4-yl)cyclohexa-2,4-dien-1-amine?
The InChIKey is FCHOHAPMVSPXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-2-15-9-7-12(8-10-15)11-3-5-13(14)6-4-11/h3-5,12-13H,2,6-10,14H2,1H3.
What are the key properties of 4-(1-ethylpiperidin-4-yl)cyclohexa-2,4-dien-1-amine?
4-(1-ethylpiperidin-4-yl)cyclohexa-2,4-dien-1-amine has a molecular weight of 206.33 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethylpiperidin-4-yl)cyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 123529143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).