1,15,15-trimethyl-10-(4-methylpiperazin-1-yl)-3-azatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene

C22H29N3 — CID 2729700

IUPAC1,15,15-trimethyl-10-(4-methylpiperazin-1-yl)-3-azatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene
SMILESCN1CCN(c2c3c(nc4ccccc24)C2(C)CCC3C2(C)C)CC1
InChIInChI=1S/C22H29N3/c1-21(2)16-9-10-22(21,3)20-18(16)19(25-13-11-24(4)12-14-25)15-7-5-6-8-17(15)23-20/h5-8,16H,9-14H2,1-4H3
InChIKeyGRIFRVOZXAODGO-UHFFFAOYSA-N
MW335.50 g/mol
LogP4.16
Rot. Bonds1

About 1,15,15-trimethyl-10-(4-methylpiperazin-1-yl)-3-azatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene

1,15,15-trimethyl-10-(4-methylpiperazin-1-yl)-3-azatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene (PubChem CID 2729700) has the molecular formula C22H29N3 and a molecular weight of 335.50 g/mol. Its IUPAC name is 1,15,15-trimethyl-10-(4-methylpiperazin-1-yl)-3-azatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene.

Molecular Properties

Compound Name1,15,15-trimethyl-10-(4-methylpiperazin-1-yl)-3-azatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene
PubChem CID2729700
Molecular FormulaC22H29N3
Molecular Weight335.50 g/mol
Exact Mass335.24
IUPAC Name1,15,15-trimethyl-10-(4-methylpiperazin-1-yl)-3-azatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene
SMILESCN1CCN(c2c3c(nc4ccccc24)C2(C)CCC3C2(C)C)CC1
InChIInChI=1S/C22H29N3/c1-21(2)16-9-10-22(21,3)20-18(16)19(25-13-11-24(4)12-14-25)15-7-5-6-8-17(15)23-20/h5-8,16H,9-14H2,1-4H3
InChIKeyGRIFRVOZXAODGO-UHFFFAOYSA-N
XLogP4.16
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.50
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,15,15-trimethyl-10-(4-methylpiperazin-1-yl)-3-azatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene?
The IUPAC name of 1,15,15-trimethyl-10-(4-methylpiperazin-1-yl)-3-azatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene (CID 2729700) is 1,15,15-trimethyl-10-(4-methylpiperazin-1-yl)-3-azatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene.
What is the SMILES notation for 1,15,15-trimethyl-10-(4-methylpiperazin-1-yl)-3-azatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene?
The canonical SMILES for 1,15,15-trimethyl-10-(4-methylpiperazin-1-yl)-3-azatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene is CN1CCN(c2c3c(nc4ccccc24)C2(C)CCC3C2(C)C)CC1.
What is the InChIKey of 1,15,15-trimethyl-10-(4-methylpiperazin-1-yl)-3-azatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene?
The InChIKey is GRIFRVOZXAODGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3/c1-21(2)16-9-10-22(21,3)20-18(16)19(25-13-11-24(4)12-14-25)15-7-5-6-8-17(15)23-20/h5-8,16H,9-14H2,1-4H3.
What are the key properties of 1,15,15-trimethyl-10-(4-methylpiperazin-1-yl)-3-azatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene?
1,15,15-trimethyl-10-(4-methylpiperazin-1-yl)-3-azatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene has a molecular weight of 335.50 g/mol, XLogP of 4.16, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,15,15-trimethyl-10-(4-methylpiperazin-1-yl)-3-azatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene is sourced from PubChem (CID 2729700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).