2-(1-piperidin-1-ylcyclohexa-2,4-dien-1-yl)ethanamine

C13H22N2 — CID 70392799

IUPAC2-(1-piperidin-1-ylcyclohexa-2,4-dien-1-yl)ethanamine
SMILESNCCC1(N2CCCCC2)C=CC=CC1
InChIInChI=1S/C13H22N2/c14-10-9-13(7-3-1-4-8-13)15-11-5-2-6-12-15/h1,3-4,7H,2,5-6,8-12,14H2
InChIKeyNGXDTQBWULZHFY-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.08
Rot. Bonds3

About 2-(1-piperidin-1-ylcyclohexa-2,4-dien-1-yl)ethanamine

2-(1-piperidin-1-ylcyclohexa-2,4-dien-1-yl)ethanamine (PubChem CID 70392799) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 2-(1-piperidin-1-ylcyclohexa-2,4-dien-1-yl)ethanamine.

Molecular Properties

Compound Name2-(1-piperidin-1-ylcyclohexa-2,4-dien-1-yl)ethanamine
PubChem CID70392799
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name2-(1-piperidin-1-ylcyclohexa-2,4-dien-1-yl)ethanamine
SMILESNCCC1(N2CCCCC2)C=CC=CC1
InChIInChI=1S/C13H22N2/c14-10-9-13(7-3-1-4-8-13)15-11-5-2-6-12-15/h1,3-4,7H,2,5-6,8-12,14H2
InChIKeyNGXDTQBWULZHFY-UHFFFAOYSA-N
XLogP2.08
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(1-piperidin-1-ylcyclohexa-2,4-dien-1-yl)ethanamine 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-(Cyclohex-3-en-1-ylmethyl)piperidin-4-amine
CID 53407205
4-[(3E,5E)-6-fluorohepta-1,3,5-trien-3-yl]piperidin-4-amine
CID 88582935
(3R,4R)-1-(6-ethyl-1-fluorocyclohexa-2,4-dien-1-yl)-3-fluoropiperidin-4-amine
CID 174552848
1-(Cyclohexa-1,4-dien-1-ylmethyl)piperidin-4-amine
CID 12796094
3-(1-Methylpiperidin-4-yl)cyclopenta-2,4-dien-1-amine
CID 20758858
2,3,4,6,6a,7,8,11a-octahydro-1H-benzo[b]quinolizin-8-amine
CID 21584350
1,9-Diazaspiro[5.5]undec-4-ene
CID 23282864
1,8-Diazaspiro[4.5]dec-3-ene
CID 23282899
1,9-Diazaspiro[5.5]undec-3-ene
CID 54156271
4-methyl-4-N-piperidin-4-ylcyclohexa-1,5-diene-1,4-diamine
CID 67191282
1-(1-Ethylcyclohexa-2,4-dien-1-yl)piperazine
CID 69199631
2-(3,4,4a,5-tetrahydro-1H-isoquinolin-2-yl)ethanamine
CID 69205227

Frequently Asked Questions

What is the IUPAC name of 2-(1-piperidin-1-ylcyclohexa-2,4-dien-1-yl)ethanamine?
The IUPAC name of 2-(1-piperidin-1-ylcyclohexa-2,4-dien-1-yl)ethanamine (CID 70392799) is 2-(1-piperidin-1-ylcyclohexa-2,4-dien-1-yl)ethanamine.
What is the SMILES notation for 2-(1-piperidin-1-ylcyclohexa-2,4-dien-1-yl)ethanamine?
The canonical SMILES for 2-(1-piperidin-1-ylcyclohexa-2,4-dien-1-yl)ethanamine is NCCC1(N2CCCCC2)C=CC=CC1.
What is the InChIKey of 2-(1-piperidin-1-ylcyclohexa-2,4-dien-1-yl)ethanamine?
The InChIKey is NGXDTQBWULZHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c14-10-9-13(7-3-1-4-8-13)15-11-5-2-6-12-15/h1,3-4,7H,2,5-6,8-12,14H2.
What are the key properties of 2-(1-piperidin-1-ylcyclohexa-2,4-dien-1-yl)ethanamine?
2-(1-piperidin-1-ylcyclohexa-2,4-dien-1-yl)ethanamine has a molecular weight of 206.33 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-piperidin-1-ylcyclohexa-2,4-dien-1-yl)ethanamine is sourced from PubChem (CID 70392799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).