4-benzyl-1-[5-[7-[5-(4-benzylpiperidin-1-yl)pentyl]-9H-fluoren-2-yl]pentyl]piperidine

C47H60N2 — CID 70633062

IUPAC4-benzyl-1-[5-[7-[5-(4-benzylpiperidin-1-yl)pentyl]-9H-fluoren-2-yl]pentyl]piperidine
SMILESc1ccc(CC2CCN(CCCCCc3ccc4c(c3)Cc3cc(CCCCCN5CCC(Cc6ccccc6)CC5)ccc3-4)CC2)cc1
InChIInChI=1S/C47H60N2/c1-5-13-38(14-6-1)33-42-23-29-48(30-24-42)27-11-3-9-17-40-19-21-46-44(35-40)37-45-36-41(20-22-47(45)46)18-10-4-12-28-49-31-25-43(26-32-49)34-39-15-7-2-8-16-39/h1-2,5-8,13-16,19-22,35-36,42-43H,3-4,9-12,17-18,23-34,37H2
InChIKeyGWNVABDEGAGHIV-UHFFFAOYSA-N
MW653.01 g/mol
LogP10.59
Rot. Bonds16

About 4-benzyl-1-[5-[7-[5-(4-benzylpiperidin-1-yl)pentyl]-9H-fluoren-2-yl]pentyl]piperidine

4-benzyl-1-[5-[7-[5-(4-benzylpiperidin-1-yl)pentyl]-9H-fluoren-2-yl]pentyl]piperidine (PubChem CID 70633062) has the molecular formula C47H60N2 and a molecular weight of 653.01 g/mol. Its IUPAC name is 4-benzyl-1-[5-[7-[5-(4-benzylpiperidin-1-yl)pentyl]-9H-fluoren-2-yl]pentyl]piperidine.

Molecular Properties

Compound Name4-benzyl-1-[5-[7-[5-(4-benzylpiperidin-1-yl)pentyl]-9H-fluoren-2-yl]pentyl]piperidine
PubChem CID70633062
Molecular FormulaC47H60N2
Molecular Weight653.01 g/mol
Exact Mass652.48
IUPAC Name4-benzyl-1-[5-[7-[5-(4-benzylpiperidin-1-yl)pentyl]-9H-fluoren-2-yl]pentyl]piperidine
SMILESc1ccc(CC2CCN(CCCCCc3ccc4c(c3)Cc3cc(CCCCCN5CCC(Cc6ccccc6)CC5)ccc3-4)CC2)cc1
InChIInChI=1S/C47H60N2/c1-5-13-38(14-6-1)33-42-23-29-48(30-24-42)27-11-3-9-17-40-19-21-46-44(35-40)37-45-36-41(20-22-47(45)46)18-10-4-12-28-49-31-25-43(26-32-49)34-39-15-7-2-8-16-39/h1-2,5-8,13-16,19-22,35-36,42-43H,3-4,9-12,17-18,23-34,37H2
InChIKeyGWNVABDEGAGHIV-UHFFFAOYSA-N
XLogP10.59
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.01
LogP ≤ 510.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(4-benzylpiperidin-1-yl)butyl]phenol
CID 57143217
[1-(4-phenylbutyl)piperidin-4-yl]methanamine
CID 69419059
4-(3-phenylpropyl)-1-[4-[4-(3-phenylpropyl)piperidin-1-yl]butyl]piperidine;dihydrochloride
CID 70096793
3-benzyl-1-octylpyrrolidine
CID 58576677
4-methyl-1-(4-phenylbutyl)piperidine
CID 118534913
5-(4-benzylpiperidin-1-yl)pentanehydrazide
CID 18621443
5-(4-benzylpiperidin-1-yl)-N'-hydroxypentanimidamide
CID 76905947
4-benzyl-1-(4-methylpentyl)piperidine
CID 155778719
4-benzyl-1-methylpiperidine;ethane
CID 142009767
4-(chloromethyl)-1-(3-phenylpropyl)piperidine
CID 55183322
[(3S)-1-(4-phenylbutyl)pyrrolidin-3-yl]methanol
CID 129380566
N-[[1-(4-phenylbutyl)piperidin-4-yl]methyl]ethanamine
CID 114333870

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-[5-[7-[5-(4-benzylpiperidin-1-yl)pentyl]-9H-fluoren-2-yl]pentyl]piperidine?
The IUPAC name of 4-benzyl-1-[5-[7-[5-(4-benzylpiperidin-1-yl)pentyl]-9H-fluoren-2-yl]pentyl]piperidine (CID 70633062) is 4-benzyl-1-[5-[7-[5-(4-benzylpiperidin-1-yl)pentyl]-9H-fluoren-2-yl]pentyl]piperidine.
What is the SMILES notation for 4-benzyl-1-[5-[7-[5-(4-benzylpiperidin-1-yl)pentyl]-9H-fluoren-2-yl]pentyl]piperidine?
The canonical SMILES for 4-benzyl-1-[5-[7-[5-(4-benzylpiperidin-1-yl)pentyl]-9H-fluoren-2-yl]pentyl]piperidine is c1ccc(CC2CCN(CCCCCc3ccc4c(c3)Cc3cc(CCCCCN5CCC(Cc6ccccc6)CC5)ccc3-4)CC2)cc1.
What is the InChIKey of 4-benzyl-1-[5-[7-[5-(4-benzylpiperidin-1-yl)pentyl]-9H-fluoren-2-yl]pentyl]piperidine?
The InChIKey is GWNVABDEGAGHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H60N2/c1-5-13-38(14-6-1)33-42-23-29-48(30-24-42)27-11-3-9-17-40-19-21-46-44(35-40)37-45-36-41(20-22-47(45)46)18-10-4-12-28-49-31-25-43(26-32-49)34-39-15-7-2-8-16-39/h1-2,5-8,13-16,19-22,35-36,42-43H,3-4,9-12,17-18,23-34,37H2.
What are the key properties of 4-benzyl-1-[5-[7-[5-(4-benzylpiperidin-1-yl)pentyl]-9H-fluoren-2-yl]pentyl]piperidine?
4-benzyl-1-[5-[7-[5-(4-benzylpiperidin-1-yl)pentyl]-9H-fluoren-2-yl]pentyl]piperidine has a molecular weight of 653.01 g/mol, XLogP of 10.59, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-[5-[7-[5-(4-benzylpiperidin-1-yl)pentyl]-9H-fluoren-2-yl]pentyl]piperidine is sourced from PubChem (CID 70633062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).