1-[(1R)-4-methoxy-1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-yl]piperidin-4-amine

C20H31N3O — CID 90122807

IUPAC1-[(1R)-4-methoxy-1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-yl]piperidin-4-amine
SMILESCOc1ccc2c(c1)[C@@]1(C)CCN(C)C(C2)C1N1CCC(N)CC1
InChIInChI=1S/C20H31N3O/c1-20-8-11-22(2)18(19(20)23-9-6-15(21)7-10-23)12-14-4-5-16(24-3)13-17(14)20/h4-5,13,15,18-19H,6-12,21H2,1-3H3/t18?,19?,20-/m1/s1
InChIKeyYDETUVLOSCSJLE-SOAGJPPSSA-N
MW329.49 g/mol
LogP2.00
Rot. Bonds2

About 1-[(1R)-4-methoxy-1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-yl]piperidin-4-amine

1-[(1R)-4-methoxy-1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-yl]piperidin-4-amine (PubChem CID 90122807) has the molecular formula C20H31N3O and a molecular weight of 329.49 g/mol. Its IUPAC name is 1-[(1R)-4-methoxy-1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[(1R)-4-methoxy-1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-yl]piperidin-4-amine
PubChem CID90122807
Molecular FormulaC20H31N3O
Molecular Weight329.49 g/mol
Exact Mass329.25
IUPAC Name1-[(1R)-4-methoxy-1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-yl]piperidin-4-amine
SMILESCOc1ccc2c(c1)[C@@]1(C)CCN(C)C(C2)C1N1CCC(N)CC1
InChIInChI=1S/C20H31N3O/c1-20-8-11-22(2)18(19(20)23-9-6-15(21)7-10-23)12-14-4-5-16(24-3)13-17(14)20/h4-5,13,15,18-19H,6-12,21H2,1-3H3/t18?,19?,20-/m1/s1
InChIKeyYDETUVLOSCSJLE-SOAGJPPSSA-N
XLogP2.00
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(1R)-4-methoxy-1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-yl]piperidin-4-amine with MolForge

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Related Compounds

(1S,9R,13S)-4-methoxy-1,10-dimethyl-N-propyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-amine
CID 126665191
(1R,9R,10S)-4-methoxy-12,17-dimethyl-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene
CID 118583905
7-methoxy-1,5,5-trimethyl-2,3,4,4a,10,10a-hexahydrobenzo[g]quinoline
CID 21436183
(4aS,10aR)-7-methoxy-1,5,5-trimethyl-2,3,4,4a,10,10a-hexahydrobenzo[g]quinoline
CID 22792255
1-[4-[[[(1R,9R,13R)-4-methoxy-1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-yl]-methylamino]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 118507362
4-methoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene
CID 3008
4-methoxy-1,11,14-trimethyl-11-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-triene
CID 13059739
(1R,9R,10R,13S)-4-methoxy-13,17-dimethyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene
CID 22212557
(1R)-4-methoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene;hydrobromide
CID 44537559
(1R,9R)-4-methoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene;hydrochloride
CID 163369553
(1S,9R,13R)-1-ethyl-4-methoxy-10,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene
CID 71167641
(1R,9R,13S)-10-(cyclopropylmethyl)-4-methoxy-N,1-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-amine
CID 90122726

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-4-methoxy-1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-yl]piperidin-4-amine?
The IUPAC name of 1-[(1R)-4-methoxy-1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-yl]piperidin-4-amine (CID 90122807) is 1-[(1R)-4-methoxy-1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-yl]piperidin-4-amine.
What is the SMILES notation for 1-[(1R)-4-methoxy-1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-yl]piperidin-4-amine?
The canonical SMILES for 1-[(1R)-4-methoxy-1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-yl]piperidin-4-amine is COc1ccc2c(c1)[C@@]1(C)CCN(C)C(C2)C1N1CCC(N)CC1.
What is the InChIKey of 1-[(1R)-4-methoxy-1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-yl]piperidin-4-amine?
The InChIKey is YDETUVLOSCSJLE-SOAGJPPSSA-N. The full InChI is InChI=1S/C20H31N3O/c1-20-8-11-22(2)18(19(20)23-9-6-15(21)7-10-23)12-14-4-5-16(24-3)13-17(14)20/h4-5,13,15,18-19H,6-12,21H2,1-3H3/t18?,19?,20-/m1/s1.
What are the key properties of 1-[(1R)-4-methoxy-1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-yl]piperidin-4-amine?
1-[(1R)-4-methoxy-1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-yl]piperidin-4-amine has a molecular weight of 329.49 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-4-methoxy-1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-yl]piperidin-4-amine is sourced from PubChem (CID 90122807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).