5-[(6R)-2,6-dimethylpiperidin-1-yl]-1,2,3,4,4a,8a-hexahydroisoquinoline

C16H26N2 — CID 142417039

IUPAC5-[(6R)-2,6-dimethylpiperidin-1-yl]-1,2,3,4,4a,8a-hexahydroisoquinoline
SMILESCC1CCC[C@@H](C)N1C1=CC=CC2CNCCC12
InChIInChI=1S/C16H26N2/c1-12-5-3-6-13(2)18(12)16-8-4-7-14-11-17-10-9-15(14)16/h4,7-8,12-15,17H,3,5-6,9-11H2,1-2H3/t12-,13?,14?,15?/m1/s1
InChIKeyDNOYOCKTDUCETE-AUXXQLBISA-N
MW246.40 g/mol
LogP2.93
Rot. Bonds1

About 5-[(6R)-2,6-dimethylpiperidin-1-yl]-1,2,3,4,4a,8a-hexahydroisoquinoline

5-[(6R)-2,6-dimethylpiperidin-1-yl]-1,2,3,4,4a,8a-hexahydroisoquinoline (PubChem CID 142417039) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 5-[(6R)-2,6-dimethylpiperidin-1-yl]-1,2,3,4,4a,8a-hexahydroisoquinoline.

Molecular Properties

Compound Name5-[(6R)-2,6-dimethylpiperidin-1-yl]-1,2,3,4,4a,8a-hexahydroisoquinoline
PubChem CID142417039
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name5-[(6R)-2,6-dimethylpiperidin-1-yl]-1,2,3,4,4a,8a-hexahydroisoquinoline
SMILESCC1CCC[C@@H](C)N1C1=CC=CC2CNCCC12
InChIInChI=1S/C16H26N2/c1-12-5-3-6-13(2)18(12)16-8-4-7-14-11-17-10-9-15(14)16/h4,7-8,12-15,17H,3,5-6,9-11H2,1-2H3/t12-,13?,14?,15?/m1/s1
InChIKeyDNOYOCKTDUCETE-AUXXQLBISA-N
XLogP2.93
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-[(6R)-2,6-dimethylpiperidin-1-yl]-1,2,3,4,4a,8a-hexahydroisoquinoline with MolForge

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Related Compounds

Octahydrodibenzoquinoline
CID 129724134
Hexahydrodibenzoquinoline
CID 129724149
Octahydropyrazino[1,2-a]quinoline
CID 129875799
4-Methyl-4-neopentyl-2-propyltetrahydroquinoline
CID 139220214
(4aS,5aR)-1,2,3,4,4a,5,5a,9a-octahydrobenzo[g]quinoline
CID 18609735
1,2,3,4,6,6a,10a,10b-Octahydrobenzo[f]quinoline
CID 19707380
1,2,3,4,4a,5,5a,9a-Octahydrobenzo[g]quinoline
CID 19783372
10-Azatricyclo[7.3.1.02,7]trideca-3,5,8-triene
CID 20287216
1,2,3,8a,9,9a,10,10a-Octahydroacridine
CID 20531195
(10R,15S)-4-propan-2-yl-1,4,12-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-7,9(16)-diene
CID 21036491
3,4,6,7,7a,11a-hexahydro-2H-benzo[a]quinolizin-2-ylmethanamine
CID 53685057
1-Ethyl-1,2,3,4,4a,8a-hexahydroisoquinoline
CID 57244014

Frequently Asked Questions

What is the IUPAC name of 5-[(6R)-2,6-dimethylpiperidin-1-yl]-1,2,3,4,4a,8a-hexahydroisoquinoline?
The IUPAC name of 5-[(6R)-2,6-dimethylpiperidin-1-yl]-1,2,3,4,4a,8a-hexahydroisoquinoline (CID 142417039) is 5-[(6R)-2,6-dimethylpiperidin-1-yl]-1,2,3,4,4a,8a-hexahydroisoquinoline.
What is the SMILES notation for 5-[(6R)-2,6-dimethylpiperidin-1-yl]-1,2,3,4,4a,8a-hexahydroisoquinoline?
The canonical SMILES for 5-[(6R)-2,6-dimethylpiperidin-1-yl]-1,2,3,4,4a,8a-hexahydroisoquinoline is CC1CCC[C@@H](C)N1C1=CC=CC2CNCCC12.
What is the InChIKey of 5-[(6R)-2,6-dimethylpiperidin-1-yl]-1,2,3,4,4a,8a-hexahydroisoquinoline?
The InChIKey is DNOYOCKTDUCETE-AUXXQLBISA-N. The full InChI is InChI=1S/C16H26N2/c1-12-5-3-6-13(2)18(12)16-8-4-7-14-11-17-10-9-15(14)16/h4,7-8,12-15,17H,3,5-6,9-11H2,1-2H3/t12-,13?,14?,15?/m1/s1.
What are the key properties of 5-[(6R)-2,6-dimethylpiperidin-1-yl]-1,2,3,4,4a,8a-hexahydroisoquinoline?
5-[(6R)-2,6-dimethylpiperidin-1-yl]-1,2,3,4,4a,8a-hexahydroisoquinoline has a molecular weight of 246.40 g/mol, XLogP of 2.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6R)-2,6-dimethylpiperidin-1-yl]-1,2,3,4,4a,8a-hexahydroisoquinoline is sourced from PubChem (CID 142417039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).