6-cyclohexa-2,4-dien-1-yl-N-piperidin-4-yl-1,2,4a,8a-tetrahydroisoquinolin-8-amine

C20H27N3 — CID 70903911

IUPAC6-cyclohexa-2,4-dien-1-yl-N-piperidin-4-yl-1,2,4a,8a-tetrahydroisoquinolin-8-amine
SMILESC1=CCC(C2=CC3C=CNCC3C(NC3CCNCC3)=C2)C=C1
InChIInChI=1S/C20H27N3/c1-2-4-15(5-3-1)17-12-16-6-9-22-14-19(16)20(13-17)23-18-7-10-21-11-8-18/h1-4,6,9,12-13,15-16,18-19,21-23H,5,7-8,10-11,14H2
InChIKeyHJFBWDRSUCOOMS-UHFFFAOYSA-N
MW309.46 g/mol
LogP2.63
Rot. Bonds3

About 6-cyclohexa-2,4-dien-1-yl-N-piperidin-4-yl-1,2,4a,8a-tetrahydroisoquinolin-8-amine

6-cyclohexa-2,4-dien-1-yl-N-piperidin-4-yl-1,2,4a,8a-tetrahydroisoquinolin-8-amine (PubChem CID 70903911) has the molecular formula C20H27N3 and a molecular weight of 309.46 g/mol. Its IUPAC name is 6-cyclohexa-2,4-dien-1-yl-N-piperidin-4-yl-1,2,4a,8a-tetrahydroisoquinolin-8-amine.

Molecular Properties

Compound Name6-cyclohexa-2,4-dien-1-yl-N-piperidin-4-yl-1,2,4a,8a-tetrahydroisoquinolin-8-amine
PubChem CID70903911
Molecular FormulaC20H27N3
Molecular Weight309.46 g/mol
Exact Mass309.22
IUPAC Name6-cyclohexa-2,4-dien-1-yl-N-piperidin-4-yl-1,2,4a,8a-tetrahydroisoquinolin-8-amine
SMILESC1=CCC(C2=CC3C=CNCC3C(NC3CCNCC3)=C2)C=C1
InChIInChI=1S/C20H27N3/c1-2-4-15(5-3-1)17-12-16-6-9-22-14-19(16)20(13-17)23-18-7-10-21-11-8-18/h1-4,6,9,12-13,15-16,18-19,21-23H,5,7-8,10-11,14H2
InChIKeyHJFBWDRSUCOOMS-UHFFFAOYSA-N
XLogP2.63
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.46
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 6-cyclohexa-2,4-dien-1-yl-N-piperidin-4-yl-1,2,4a,8a-tetrahydroisoquinolin-8-amine with MolForge

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Launch Full Analysis

Related Compounds

Octahydrodibenzoquinoline
CID 129724134
6-(5-fluorocyclohexa-1,5-dien-1-yl)-2-methyl-N-piperidin-4-yl-3,8a-dihydro-1H-isoquinolin-8-amine
CID 68244407
3-[8-(Piperidin-4-ylamino)-1,2,4a,8a-tetrahydroisoquinolin-6-yl]-6-(trifluoromethyl)cyclohexa-1,5-diene-1-carbonitrile
CID 70903841
6-(5-fluoro-1,2-dihydropyridin-3-yl)-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine
CID 70903857
6-(3-fluoro-1,2-dihydropyridin-4-yl)-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine
CID 70903865
6-[6-(fluoromethyl)-1,2-dihydropyridin-3-yl]-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine
CID 70903868
6-(4-fluoro-1,2-dihydropyridin-3-yl)-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine
CID 70903871
6-Fluoro-3-[8-(piperidin-4-ylamino)-2,3-dihydroisoquinolin-6-yl]cyclohexa-2,4-diene-1-carbonitrile
CID 70903910
6-Fluoro-3-[8-(piperidin-4-ylamino)-2,3-dihydroisoquinolin-6-yl]cyclohexa-1,5-diene-1-carbonitrile
CID 70903927
6-(2-fluoro-5-methyl-1,2-dihydropyridin-3-yl)-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine
CID 70903928
6-Fluoro-3-[8-(piperidin-4-ylamino)-1,2,4a,8a-tetrahydroisoquinolin-6-yl]cyclohexa-1,5-diene-1-carbonitrile
CID 70903970
4-Fluoro-3-[8-(piperidin-4-ylamino)-1,2,4a,8a-tetrahydroisoquinolin-6-yl]cyclohexa-1,5-diene-1-carbonitrile
CID 70904057

Frequently Asked Questions

What is the IUPAC name of 6-cyclohexa-2,4-dien-1-yl-N-piperidin-4-yl-1,2,4a,8a-tetrahydroisoquinolin-8-amine?
The IUPAC name of 6-cyclohexa-2,4-dien-1-yl-N-piperidin-4-yl-1,2,4a,8a-tetrahydroisoquinolin-8-amine (CID 70903911) is 6-cyclohexa-2,4-dien-1-yl-N-piperidin-4-yl-1,2,4a,8a-tetrahydroisoquinolin-8-amine.
What is the SMILES notation for 6-cyclohexa-2,4-dien-1-yl-N-piperidin-4-yl-1,2,4a,8a-tetrahydroisoquinolin-8-amine?
The canonical SMILES for 6-cyclohexa-2,4-dien-1-yl-N-piperidin-4-yl-1,2,4a,8a-tetrahydroisoquinolin-8-amine is C1=CCC(C2=CC3C=CNCC3C(NC3CCNCC3)=C2)C=C1.
What is the InChIKey of 6-cyclohexa-2,4-dien-1-yl-N-piperidin-4-yl-1,2,4a,8a-tetrahydroisoquinolin-8-amine?
The InChIKey is HJFBWDRSUCOOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3/c1-2-4-15(5-3-1)17-12-16-6-9-22-14-19(16)20(13-17)23-18-7-10-21-11-8-18/h1-4,6,9,12-13,15-16,18-19,21-23H,5,7-8,10-11,14H2.
What are the key properties of 6-cyclohexa-2,4-dien-1-yl-N-piperidin-4-yl-1,2,4a,8a-tetrahydroisoquinolin-8-amine?
6-cyclohexa-2,4-dien-1-yl-N-piperidin-4-yl-1,2,4a,8a-tetrahydroisoquinolin-8-amine has a molecular weight of 309.46 g/mol, XLogP of 2.63, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexa-2,4-dien-1-yl-N-piperidin-4-yl-1,2,4a,8a-tetrahydroisoquinolin-8-amine is sourced from PubChem (CID 70903911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).