3-[(4-fluorophenoxy)methyl]-1-methanidylpiperidine

C13H17FNO- — CID 123811801

IUPAC3-[(4-fluorophenoxy)methyl]-1-methanidylpiperidine
SMILES[CH2-]N1CCCC(COc2ccc(F)cc2)C1
InChIInChI=1S/C13H17FNO/c1-15-8-2-3-11(9-15)10-16-13-6-4-12(14)5-7-13/h4-7,11H,1-3,8-10H2/q-1
InChIKeyFPQWCERNKYDMRZ-UHFFFAOYSA-N
MW222.28 g/mol
LogP2.71
Rot. Bonds3

About 3-[(4-fluorophenoxy)methyl]-1-methanidylpiperidine

3-[(4-fluorophenoxy)methyl]-1-methanidylpiperidine (PubChem CID 123811801) has the molecular formula C13H17FNO- and a molecular weight of 222.28 g/mol. Its IUPAC name is 3-[(4-fluorophenoxy)methyl]-1-methanidylpiperidine.

Molecular Properties

Compound Name3-[(4-fluorophenoxy)methyl]-1-methanidylpiperidine
PubChem CID123811801
Molecular FormulaC13H17FNO-
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name3-[(4-fluorophenoxy)methyl]-1-methanidylpiperidine
SMILES[CH2-]N1CCCC(COc2ccc(F)cc2)C1
InChIInChI=1S/C13H17FNO/c1-15-8-2-3-11(9-15)10-16-13-6-4-12(14)5-7-13/h4-7,11H,1-3,8-10H2/q-1
InChIKeyFPQWCERNKYDMRZ-UHFFFAOYSA-N
XLogP2.71
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]acetic acid
CID 165429432
2-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]acetamide
CID 110258523
[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-(4-hydroxycyclohexyl)methanone
CID 70738185
3-[(4-fluorophenoxy)methyl]-1-(4-methylphenyl)sulfonylpiperidine
CID 110638702
(2,6-dimethoxyphenyl)-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone
CID 110638674
5-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-1,3,4-thiadiazol-2-amine
CID 146040538
3-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]propan-1-imine;hydrochloride
CID 19763371
1-[2-[(3R)-3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-2-oxoethyl]piperidine-4-carboxamide
CID 97110125
(3S)-3-[(4-fluorophenoxy)methyl]piperidine
CID 42427122
1-[(3R)-3-[(4-fluorophenoxy)methyl]piperidine-1-carbonyl]cyclopropane-1-carboxamide
CID 95862503
1-[(3S)-3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-2-[4-(hydroxymethyl)phenyl]ethanone
CID 95861803
(3S)-N-(1-cyclopropylcyclopropyl)-3-[(4-fluorophenoxy)methyl]piperidine-1-carboxamide
CID 125441231

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenoxy)methyl]-1-methanidylpiperidine?
The IUPAC name of 3-[(4-fluorophenoxy)methyl]-1-methanidylpiperidine (CID 123811801) is 3-[(4-fluorophenoxy)methyl]-1-methanidylpiperidine.
What is the SMILES notation for 3-[(4-fluorophenoxy)methyl]-1-methanidylpiperidine?
The canonical SMILES for 3-[(4-fluorophenoxy)methyl]-1-methanidylpiperidine is [CH2-]N1CCCC(COc2ccc(F)cc2)C1.
What is the InChIKey of 3-[(4-fluorophenoxy)methyl]-1-methanidylpiperidine?
The InChIKey is FPQWCERNKYDMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FNO/c1-15-8-2-3-11(9-15)10-16-13-6-4-12(14)5-7-13/h4-7,11H,1-3,8-10H2/q-1.
What are the key properties of 3-[(4-fluorophenoxy)methyl]-1-methanidylpiperidine?
3-[(4-fluorophenoxy)methyl]-1-methanidylpiperidine has a molecular weight of 222.28 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenoxy)methyl]-1-methanidylpiperidine is sourced from PubChem (CID 123811801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).