4-[(4-fluorophenyl)methoxymethyl]-1-pentylpiperidine;hydrochloride

C18H29ClFNO — CID 45262188

IUPAC4-[(4-fluorophenyl)methoxymethyl]-1-pentylpiperidine;hydrochloride
SMILESCCCCCN1CCC(COCc2ccc(F)cc2)CC1.Cl
InChIInChI=1S/C18H28FNO.ClH/c1-2-3-4-11-20-12-9-17(10-13-20)15-21-14-16-5-7-18(19)8-6-16;/h5-8,17H,2-4,9-15H2,1H3;1H
InChIKeyJUPHDWMHHFHELC-UHFFFAOYSA-N
MW329.89 g/mol
LogP4.67
Rot. Bonds8

About 4-[(4-fluorophenyl)methoxymethyl]-1-pentylpiperidine;hydrochloride

4-[(4-fluorophenyl)methoxymethyl]-1-pentylpiperidine;hydrochloride (PubChem CID 45262188) has the molecular formula C18H29ClFNO and a molecular weight of 329.89 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methoxymethyl]-1-pentylpiperidine;hydrochloride.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methoxymethyl]-1-pentylpiperidine;hydrochloride
PubChem CID45262188
Molecular FormulaC18H29ClFNO
Molecular Weight329.89 g/mol
Exact Mass329.19
IUPAC Name4-[(4-fluorophenyl)methoxymethyl]-1-pentylpiperidine;hydrochloride
SMILESCCCCCN1CCC(COCc2ccc(F)cc2)CC1.Cl
InChIInChI=1S/C18H28FNO.ClH/c1-2-3-4-11-20-12-9-17(10-13-20)15-21-14-16-5-7-18(19)8-6-16;/h5-8,17H,2-4,9-15H2,1H3;1H
InChIKeyJUPHDWMHHFHELC-UHFFFAOYSA-N
XLogP4.67
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.89
LogP ≤ 54.67
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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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methoxymethyl]-1-pentylpiperidine;hydrochloride?
The IUPAC name of 4-[(4-fluorophenyl)methoxymethyl]-1-pentylpiperidine;hydrochloride (CID 45262188) is 4-[(4-fluorophenyl)methoxymethyl]-1-pentylpiperidine;hydrochloride.
What is the SMILES notation for 4-[(4-fluorophenyl)methoxymethyl]-1-pentylpiperidine;hydrochloride?
The canonical SMILES for 4-[(4-fluorophenyl)methoxymethyl]-1-pentylpiperidine;hydrochloride is CCCCCN1CCC(COCc2ccc(F)cc2)CC1.Cl.
What is the InChIKey of 4-[(4-fluorophenyl)methoxymethyl]-1-pentylpiperidine;hydrochloride?
The InChIKey is JUPHDWMHHFHELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FNO.ClH/c1-2-3-4-11-20-12-9-17(10-13-20)15-21-14-16-5-7-18(19)8-6-16;/h5-8,17H,2-4,9-15H2,1H3;1H.
What are the key properties of 4-[(4-fluorophenyl)methoxymethyl]-1-pentylpiperidine;hydrochloride?
4-[(4-fluorophenyl)methoxymethyl]-1-pentylpiperidine;hydrochloride has a molecular weight of 329.89 g/mol, XLogP of 4.67, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methoxymethyl]-1-pentylpiperidine;hydrochloride is sourced from PubChem (CID 45262188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).