4-[2-(2-fluorophenyl)ethyl]-1-pentylpiperidine;hydrobromide

C18H29BrFN — CID 67838993

IUPAC4-[2-(2-fluorophenyl)ethyl]-1-pentylpiperidine;hydrobromide
SMILESBr.CCCCCN1CCC(CCc2ccccc2F)CC1
InChIInChI=1S/C18H28FN.BrH/c1-2-3-6-13-20-14-11-16(12-15-20)9-10-17-7-4-5-8-18(17)19;/h4-5,7-8,16H,2-3,6,9-15H2,1H3;1H
InChIKeyFGVZDPXIRCJKPL-UHFFFAOYSA-N
MW358.34 g/mol
LogP5.24
Rot. Bonds7

About 4-[2-(2-fluorophenyl)ethyl]-1-pentylpiperidine;hydrobromide

4-[2-(2-fluorophenyl)ethyl]-1-pentylpiperidine;hydrobromide (PubChem CID 67838993) has the molecular formula C18H29BrFN and a molecular weight of 358.34 g/mol. Its IUPAC name is 4-[2-(2-fluorophenyl)ethyl]-1-pentylpiperidine;hydrobromide.

Molecular Properties

Compound Name4-[2-(2-fluorophenyl)ethyl]-1-pentylpiperidine;hydrobromide
PubChem CID67838993
Molecular FormulaC18H29BrFN
Molecular Weight358.34 g/mol
Exact Mass357.15
IUPAC Name4-[2-(2-fluorophenyl)ethyl]-1-pentylpiperidine;hydrobromide
SMILESBr.CCCCCN1CCC(CCc2ccccc2F)CC1
InChIInChI=1S/C18H28FN.BrH/c1-2-3-6-13-20-14-11-16(12-15-20)9-10-17-7-4-5-8-18(17)19;/h4-5,7-8,16H,2-3,6,9-15H2,1H3;1H
InChIKeyFGVZDPXIRCJKPL-UHFFFAOYSA-N
XLogP5.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.34
LogP ≤ 55.24
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

2-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]ethanamine
CID 95461564
4-[2-(4-fluorophenoxy)ethyl]-1-pentylpiperidine
CID 54415158
4-butyl-1-octylpiperidine
CID 171570418
tert-butyl 4-[2-(2-fluorophenyl)ethyl]piperidine-1-carboxylate
CID 134385677
4-(4-butylpiperidin-1-yl)-1-(2-ethylphenyl)butan-1-one
CID 18626360
1-fluoro-2-heptylbenzene
CID 20721019
1-hexyl-4-[3-(4-methylphenyl)propyl]piperidine
CID 86175375
4-[2-(2-fluorophenyl)ethyl]piperidin-1-ium
CID 7183060
1-[4-[3-(2-fluorophenyl)propyl]piperazin-1-yl]butan-1-one
CID 110413324
2-[2-(1-ethylpiperidin-4-yl)ethyl]phenol
CID 70831004
3-benzyl-1-octylpyrrolidine
CID 58576677
1-[2-(2-fluorophenyl)ethyl]-N-propylpyrrolidin-3-amine
CID 43315228

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-fluorophenyl)ethyl]-1-pentylpiperidine;hydrobromide?
The IUPAC name of 4-[2-(2-fluorophenyl)ethyl]-1-pentylpiperidine;hydrobromide (CID 67838993) is 4-[2-(2-fluorophenyl)ethyl]-1-pentylpiperidine;hydrobromide.
What is the SMILES notation for 4-[2-(2-fluorophenyl)ethyl]-1-pentylpiperidine;hydrobromide?
The canonical SMILES for 4-[2-(2-fluorophenyl)ethyl]-1-pentylpiperidine;hydrobromide is Br.CCCCCN1CCC(CCc2ccccc2F)CC1.
What is the InChIKey of 4-[2-(2-fluorophenyl)ethyl]-1-pentylpiperidine;hydrobromide?
The InChIKey is FGVZDPXIRCJKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FN.BrH/c1-2-3-6-13-20-14-11-16(12-15-20)9-10-17-7-4-5-8-18(17)19;/h4-5,7-8,16H,2-3,6,9-15H2,1H3;1H.
What are the key properties of 4-[2-(2-fluorophenyl)ethyl]-1-pentylpiperidine;hydrobromide?
4-[2-(2-fluorophenyl)ethyl]-1-pentylpiperidine;hydrobromide has a molecular weight of 358.34 g/mol, XLogP of 5.24, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-fluorophenyl)ethyl]-1-pentylpiperidine;hydrobromide is sourced from PubChem (CID 67838993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).