13-methyl-2-(1-methylpiperidin-4-ylidene)-4,5,7,13-tetrazatricyclo[8.3.0.03,7]trideca-1(10),3,5,8,11-pentaene

C16H19N5 — CID 23355061

IUPAC13-methyl-2-(1-methylpiperidin-4-ylidene)-4,5,7,13-tetrazatricyclo[8.3.0.03,7]trideca-1(10),3,5,8,11-pentaene
SMILESCN1CCC(=C2c3c(ccn3C)C=Cn3cnnc32)CC1
InChIInChI=1S/C16H19N5/c1-19-7-3-12(4-8-19)14-15-13(5-9-20(15)2)6-10-21-11-17-18-16(14)21/h5-6,9-11H,3-4,7-8H2,1-2H3
InChIKeyREMCSGKPAMJXSI-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.09
Rot. Bonds

About 13-methyl-2-(1-methylpiperidin-4-ylidene)-4,5,7,13-tetrazatricyclo[8.3.0.03,7]trideca-1(10),3,5,8,11-pentaene

13-methyl-2-(1-methylpiperidin-4-ylidene)-4,5,7,13-tetrazatricyclo[8.3.0.03,7]trideca-1(10),3,5,8,11-pentaene (PubChem CID 23355061) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is 13-methyl-2-(1-methylpiperidin-4-ylidene)-4,5,7,13-tetrazatricyclo[8.3.0.03,7]trideca-1(10),3,5,8,11-pentaene.

Molecular Properties

Compound Name13-methyl-2-(1-methylpiperidin-4-ylidene)-4,5,7,13-tetrazatricyclo[8.3.0.03,7]trideca-1(10),3,5,8,11-pentaene
PubChem CID23355061
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC Name13-methyl-2-(1-methylpiperidin-4-ylidene)-4,5,7,13-tetrazatricyclo[8.3.0.03,7]trideca-1(10),3,5,8,11-pentaene
SMILESCN1CCC(=C2c3c(ccn3C)C=Cn3cnnc32)CC1
InChIInChI=1S/C16H19N5/c1-19-7-3-12(4-8-19)14-15-13(5-9-20(15)2)6-10-21-11-17-18-16(14)21/h5-6,9-11H,3-4,7-8H2,1-2H3
InChIKeyREMCSGKPAMJXSI-UHFFFAOYSA-N
XLogP2.09
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 13-methyl-2-(1-methylpiperidin-4-ylidene)-4,5,7,13-tetrazatricyclo[8.3.0.03,7]trideca-1(10),3,5,8,11-pentaene?
The IUPAC name of 13-methyl-2-(1-methylpiperidin-4-ylidene)-4,5,7,13-tetrazatricyclo[8.3.0.03,7]trideca-1(10),3,5,8,11-pentaene (CID 23355061) is 13-methyl-2-(1-methylpiperidin-4-ylidene)-4,5,7,13-tetrazatricyclo[8.3.0.03,7]trideca-1(10),3,5,8,11-pentaene.
What is the SMILES notation for 13-methyl-2-(1-methylpiperidin-4-ylidene)-4,5,7,13-tetrazatricyclo[8.3.0.03,7]trideca-1(10),3,5,8,11-pentaene?
The canonical SMILES for 13-methyl-2-(1-methylpiperidin-4-ylidene)-4,5,7,13-tetrazatricyclo[8.3.0.03,7]trideca-1(10),3,5,8,11-pentaene is CN1CCC(=C2c3c(ccn3C)C=Cn3cnnc32)CC1.
What is the InChIKey of 13-methyl-2-(1-methylpiperidin-4-ylidene)-4,5,7,13-tetrazatricyclo[8.3.0.03,7]trideca-1(10),3,5,8,11-pentaene?
The InChIKey is REMCSGKPAMJXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c1-19-7-3-12(4-8-19)14-15-13(5-9-20(15)2)6-10-21-11-17-18-16(14)21/h5-6,9-11H,3-4,7-8H2,1-2H3.
What are the key properties of 13-methyl-2-(1-methylpiperidin-4-ylidene)-4,5,7,13-tetrazatricyclo[8.3.0.03,7]trideca-1(10),3,5,8,11-pentaene?
13-methyl-2-(1-methylpiperidin-4-ylidene)-4,5,7,13-tetrazatricyclo[8.3.0.03,7]trideca-1(10),3,5,8,11-pentaene has a molecular weight of 281.36 g/mol, XLogP of 2.09, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 13-methyl-2-(1-methylpiperidin-4-ylidene)-4,5,7,13-tetrazatricyclo[8.3.0.03,7]trideca-1(10),3,5,8,11-pentaene is sourced from PubChem (CID 23355061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).