1-[3-(2H-tetrazol-5-yl)propyl]-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)piperidine

C24H27N5 — CID 67760687

IUPAC1-[3-(2H-tetrazol-5-yl)propyl]-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)piperidine
SMILESC1=Cc2ccccc2C(C2CCN(CCCc3nn[nH]n3)CC2)c2ccccc21
InChIInChI=1S/C24H27N5/c1-3-8-21-18(6-1)11-12-19-7-2-4-9-22(19)24(21)20-13-16-29(17-14-20)15-5-10-23-25-27-28-26-23/h1-4,6-9,11-12,20,24H,5,10,13-17H2,(H,25,26,27,28)
InChIKeyOLNFNRKAAPDLMY-UHFFFAOYSA-N
MW385.52 g/mol
LogP4.16
Rot. Bonds5

About 1-[3-(2H-tetrazol-5-yl)propyl]-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)piperidine

1-[3-(2H-tetrazol-5-yl)propyl]-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)piperidine (PubChem CID 67760687) has the molecular formula C24H27N5 and a molecular weight of 385.52 g/mol. Its IUPAC name is 1-[3-(2H-tetrazol-5-yl)propyl]-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)piperidine.

Molecular Properties

Compound Name1-[3-(2H-tetrazol-5-yl)propyl]-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)piperidine
PubChem CID67760687
Molecular FormulaC24H27N5
Molecular Weight385.52 g/mol
Exact Mass385.23
IUPAC Name1-[3-(2H-tetrazol-5-yl)propyl]-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)piperidine
SMILESC1=Cc2ccccc2C(C2CCN(CCCc3nn[nH]n3)CC2)c2ccccc21
InChIInChI=1S/C24H27N5/c1-3-8-21-18(6-1)11-12-19-7-2-4-9-22(19)24(21)20-13-16-29(17-14-20)15-5-10-23-25-27-28-26-23/h1-4,6-9,11-12,20,24H,5,10,13-17H2,(H,25,26,27,28)
InChIKeyOLNFNRKAAPDLMY-UHFFFAOYSA-N
XLogP4.16
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.52
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2H-tetrazol-5-yl)propyl]-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)piperidine?
The IUPAC name of 1-[3-(2H-tetrazol-5-yl)propyl]-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)piperidine (CID 67760687) is 1-[3-(2H-tetrazol-5-yl)propyl]-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)piperidine.
What is the SMILES notation for 1-[3-(2H-tetrazol-5-yl)propyl]-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)piperidine?
The canonical SMILES for 1-[3-(2H-tetrazol-5-yl)propyl]-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)piperidine is C1=Cc2ccccc2C(C2CCN(CCCc3nn[nH]n3)CC2)c2ccccc21.
What is the InChIKey of 1-[3-(2H-tetrazol-5-yl)propyl]-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)piperidine?
The InChIKey is OLNFNRKAAPDLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5/c1-3-8-21-18(6-1)11-12-19-7-2-4-9-22(19)24(21)20-13-16-29(17-14-20)15-5-10-23-25-27-28-26-23/h1-4,6-9,11-12,20,24H,5,10,13-17H2,(H,25,26,27,28).
What are the key properties of 1-[3-(2H-tetrazol-5-yl)propyl]-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)piperidine?
1-[3-(2H-tetrazol-5-yl)propyl]-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)piperidine has a molecular weight of 385.52 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2H-tetrazol-5-yl)propyl]-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)piperidine is sourced from PubChem (CID 67760687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).