1-[3-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)propyl]piperazine

C23H30N2 — CID 19878391

IUPAC1-[3-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)propyl]piperazine
SMILESc1cc2ccc1CCc1ccc(c(CCCN3CCNCC3)c1)CC2
InChIInChI=1S/C23H30N2/c1(15-25-16-13-24-14-17-25)2-23-18-21-8-7-19-3-5-20(6-4-19)9-11-22(23)12-10-21/h3-6,10,12,18,24H,1-2,7-9,11,13-17H2
InChIKeyHYKTXMOOHYFOII-UHFFFAOYSA-N
MW334.51 g/mol
LogP3.41
Rot. Bonds4

About 1-[3-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)propyl]piperazine

1-[3-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)propyl]piperazine (PubChem CID 19878391) has the molecular formula C23H30N2 and a molecular weight of 334.51 g/mol. Its IUPAC name is 1-[3-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)propyl]piperazine.

Molecular Properties

Compound Name1-[3-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)propyl]piperazine
PubChem CID19878391
Molecular FormulaC23H30N2
Molecular Weight334.51 g/mol
Exact Mass334.24
IUPAC Name1-[3-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)propyl]piperazine
SMILESc1cc2ccc1CCc1ccc(c(CCCN3CCNCC3)c1)CC2
InChIInChI=1S/C23H30N2/c1(15-25-16-13-24-14-17-25)2-23-18-21-8-7-19-3-5-20(6-4-19)9-11-22(23)12-10-21/h3-6,10,12,18,24H,1-2,7-9,11,13-17H2
InChIKeyHYKTXMOOHYFOII-UHFFFAOYSA-N
XLogP3.41
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.51
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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6-(3-piperazin-1-ylpropyl)-2,3-dihydro-1H-indole
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2-(3-piperazin-1-ylpropyl)aniline
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1-[3-(2-bromo-4-methylphenyl)propyl]piperazine
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1-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperazine
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1-[3-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)propyl]piperazine
CID 96678020
1-[3-(2,5-dichlorophenyl)propyl]-1,4-diazepane
CID 83931363
1-methyl-5-(3-piperazin-1-ylpropyl)-2,3-dihydroindole
CID 116997078
2-(4-piperazin-1-ylbutyl)phenol
CID 83930504
5-(bromomethyl)tetracyclo[14.2.2.24,7.210,13]tetracosa-1(19),4,6,10(22),11,13(21),16(20),17,23-nonaene
CID 15184281
5-tert-butyl-3-(3-piperazin-1-ylpropyl)-1H-indole
CID 82277483
6-fluoro-3-(3-piperazin-1-ylpropyl)-1H-indole
CID 82277487

Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)propyl]piperazine?
The IUPAC name of 1-[3-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)propyl]piperazine (CID 19878391) is 1-[3-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)propyl]piperazine.
What is the SMILES notation for 1-[3-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)propyl]piperazine?
The canonical SMILES for 1-[3-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)propyl]piperazine is c1cc2ccc1CCc1ccc(c(CCCN3CCNCC3)c1)CC2.
What is the InChIKey of 1-[3-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)propyl]piperazine?
The InChIKey is HYKTXMOOHYFOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2/c1(15-25-16-13-24-14-17-25)2-23-18-21-8-7-19-3-5-20(6-4-19)9-11-22(23)12-10-21/h3-6,10,12,18,24H,1-2,7-9,11,13-17H2.
What are the key properties of 1-[3-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)propyl]piperazine?
1-[3-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)propyl]piperazine has a molecular weight of 334.51 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)propyl]piperazine is sourced from PubChem (CID 19878391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).