4-hexyl-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperidine

C26H35N — CID 23381499

IUPAC4-hexyl-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperidine
SMILESCCCCCCC1CCN(C2c3ccccc3CCc3ccccc32)CC1
InChIInChI=1S/C26H35N/c1-2-3-4-5-10-21-17-19-27(20-18-21)26-24-13-8-6-11-22(24)15-16-23-12-7-9-14-25(23)26/h6-9,11-14,21,26H,2-5,10,15-20H2,1H3
InChIKeyJJOLQGFONIVYHA-UHFFFAOYSA-N
MW361.57 g/mol
LogP6.56
Rot. Bonds6

About 4-hexyl-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperidine

4-hexyl-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperidine (PubChem CID 23381499) has the molecular formula C26H35N and a molecular weight of 361.57 g/mol. Its IUPAC name is 4-hexyl-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperidine.

Molecular Properties

Compound Name4-hexyl-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperidine
PubChem CID23381499
Molecular FormulaC26H35N
Molecular Weight361.57 g/mol
Exact Mass361.28
IUPAC Name4-hexyl-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperidine
SMILESCCCCCCC1CCN(C2c3ccccc3CCc3ccccc32)CC1
InChIInChI=1S/C26H35N/c1-2-3-4-5-10-21-17-19-27(20-18-21)26-24-13-8-6-11-22(24)15-16-23-12-7-9-14-25(23)26/h6-9,11-14,21,26H,2-5,10,15-20H2,1H3
InChIKeyJJOLQGFONIVYHA-UHFFFAOYSA-N
XLogP6.56
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.57
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperidin-4-yl]methanamine
CID 14950886
(1R)-1-hexadecyl-2,3-dihydro-1H-indene
CID 98094176
5-pentyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 58420594
2-(4-propylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 62200551
(4-hexylpiperidin-1-yl)-diphenylphosphane
CID 59090045
3-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperazin-1-yl]propan-1-ol
CID 11522885
2-hexyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 63460691
1-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperazin-1-yl]butan-2-ol
CID 11121672
2-pentyl-1,2,3,4-tetrahydronaphthalene
CID 14298811
1-(4-pentylcyclohexyl)-2-(4-propylcyclohexyl)benzene
CID 173398550
4-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperazin-1-yl]butan-1-amine
CID 22397692
1-benzhydryl-4-octylpiperidine;hydrobromide
CID 54609247

Frequently Asked Questions

What is the IUPAC name of 4-hexyl-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperidine?
The IUPAC name of 4-hexyl-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperidine (CID 23381499) is 4-hexyl-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperidine.
What is the SMILES notation for 4-hexyl-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperidine?
The canonical SMILES for 4-hexyl-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperidine is CCCCCCC1CCN(C2c3ccccc3CCc3ccccc32)CC1.
What is the InChIKey of 4-hexyl-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperidine?
The InChIKey is JJOLQGFONIVYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N/c1-2-3-4-5-10-21-17-19-27(20-18-21)26-24-13-8-6-11-22(24)15-16-23-12-7-9-14-25(23)26/h6-9,11-14,21,26H,2-5,10,15-20H2,1H3.
What are the key properties of 4-hexyl-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperidine?
4-hexyl-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperidine has a molecular weight of 361.57 g/mol, XLogP of 6.56, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexyl-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperidine is sourced from PubChem (CID 23381499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).