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

C25H33N — CID 21135993

IUPAC1-pentyl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperidine
SMILESCCCCCN1CCC(C2c3ccccc3CCc3ccccc32)CC1
InChIInChI=1S/C25H33N/c1-2-3-8-17-26-18-15-22(16-19-26)25-23-11-6-4-9-20(23)13-14-21-10-5-7-12-24(21)25/h4-7,9-12,22,25H,2-3,8,13-19H2,1H3
InChIKeySYHPLABYLTXYGF-UHFFFAOYSA-N
MW347.55 g/mol
LogP5.82
Rot. Bonds5

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

1-pentyl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperidine (PubChem CID 21135993) has the molecular formula C25H33N and a molecular weight of 347.55 g/mol. Its IUPAC name is 1-pentyl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperidine.

Molecular Properties

Compound Name1-pentyl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperidine
PubChem CID21135993
Molecular FormulaC25H33N
Molecular Weight347.55 g/mol
Exact Mass347.26
IUPAC Name1-pentyl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperidine
SMILESCCCCCN1CCC(C2c3ccccc3CCc3ccccc32)CC1
InChIInChI=1S/C25H33N/c1-2-3-8-17-26-18-15-22(16-19-26)25-23-11-6-4-9-20(23)13-14-21-10-5-7-12-24(21)25/h4-7,9-12,22,25H,2-3,8,13-19H2,1H3
InChIKeySYHPLABYLTXYGF-UHFFFAOYSA-N
XLogP5.82
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.55
LogP ≤ 55.82
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

4-(5-chloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl)-1-hexylpiperidine
CID 54339671
3-butyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[f]isoquinoline
CID 19093629
2-pentyl-3,4-dihydro-1H-isoquinoline
CID 24138
2-nonyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline;hydrochloride
CID 46212023
2-undecyl-3,4-dihydro-1H-isoquinoline
CID 76900260
2-heptyl-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one
CID 46855998
4-hexyl-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperidine
CID 23381499
(6S)-3-hexyl-6-methyl-2,4,5,6-tetrahydro-1H-3-benzazocin-8-ol
CID 129408570
(6R)-3-hexyl-6-methyl-2,4,5,6-tetrahydro-1H-3-benzazocin-8-ol
CID 129408569
1,1-dimethyl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperidin-1-ium iodide
CID 23372178
(1-hexylpiperidin-4-yl)-phenylmethanone
CID 21135926
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

Frequently Asked Questions

What is the IUPAC name of 1-pentyl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperidine?
The IUPAC name of 1-pentyl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperidine (CID 21135993) is 1-pentyl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperidine.
What is the SMILES notation for 1-pentyl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperidine?
The canonical SMILES for 1-pentyl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperidine is CCCCCN1CCC(C2c3ccccc3CCc3ccccc32)CC1.
What is the InChIKey of 1-pentyl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperidine?
The InChIKey is SYHPLABYLTXYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N/c1-2-3-8-17-26-18-15-22(16-19-26)25-23-11-6-4-9-20(23)13-14-21-10-5-7-12-24(21)25/h4-7,9-12,22,25H,2-3,8,13-19H2,1H3.
What are the key properties of 1-pentyl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperidine?
1-pentyl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperidine has a molecular weight of 347.55 g/mol, XLogP of 5.82, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentyl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperidine is sourced from PubChem (CID 21135993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).