4-[2-[(2-fluorophenyl)methoxy]ethyl]piperidine;hydrochloride

C14H21ClFNO — CID 56829895

IUPAC4-[2-[(2-fluorophenyl)methoxy]ethyl]piperidine;hydrochloride
SMILESCl.Fc1ccccc1COCCC1CCNCC1
InChIInChI=1S/C14H20FNO.ClH/c15-14-4-2-1-3-13(14)11-17-10-7-12-5-8-16-9-6-12;/h1-4,12,16H,5-11H2;1H
InChIKeyVTDNEUIGSPBDDU-UHFFFAOYSA-N
MW273.78 g/mol
LogP3.15
Rot. Bonds5

About 4-[2-[(2-fluorophenyl)methoxy]ethyl]piperidine;hydrochloride

4-[2-[(2-fluorophenyl)methoxy]ethyl]piperidine;hydrochloride (PubChem CID 56829895) has the molecular formula C14H21ClFNO and a molecular weight of 273.78 g/mol. Its IUPAC name is 4-[2-[(2-fluorophenyl)methoxy]ethyl]piperidine;hydrochloride.

Molecular Properties

Compound Name4-[2-[(2-fluorophenyl)methoxy]ethyl]piperidine;hydrochloride
PubChem CID56829895
Molecular FormulaC14H21ClFNO
Molecular Weight273.78 g/mol
Exact Mass273.13
IUPAC Name4-[2-[(2-fluorophenyl)methoxy]ethyl]piperidine;hydrochloride
SMILESCl.Fc1ccccc1COCCC1CCNCC1
InChIInChI=1S/C14H20FNO.ClH/c15-14-4-2-1-3-13(14)11-17-10-7-12-5-8-16-9-6-12;/h1-4,12,16H,5-11H2;1H
InChIKeyVTDNEUIGSPBDDU-UHFFFAOYSA-N
XLogP3.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.78
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-fluorophenyl)methoxymethyl]azepane
CID 115070870
4-[(2-fluorophenyl)methyl]piperidine;hydrochloride
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methyl 2-(2-piperidin-4-ylethoxymethyl)benzoate
CID 53410600
3-[(2-fluorophenyl)methoxymethyl]piperidine;hydrochloride
CID 56831008
3-[(2-fluorophenyl)methoxymethyl]piperidine
CID 56831009
3-fluoro-4-(2-pyrrolidin-3-ylethoxymethyl)benzonitrile
CID 114796091
1-fluoro-2-[(2-fluorophenyl)methoxymethyl]benzene
CID 67509440
4-(2-cyclopropylethoxymethyl)-3-fluoroaniline
CID 106199901
(3S)-3-[(2-fluorophenyl)methoxy]pyrrolidine
CID 66520009
3-[(2-fluorophenyl)methoxy]pyrrolidine
CID 14497371
4-[(2,4-difluorophenyl)methoxymethyl]piperidine;hydrochloride
CID 56831224
(2-fluorophenyl)methyl piperidine-4-carboxylate
CID 63933211

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2-fluorophenyl)methoxy]ethyl]piperidine;hydrochloride?
The IUPAC name of 4-[2-[(2-fluorophenyl)methoxy]ethyl]piperidine;hydrochloride (CID 56829895) is 4-[2-[(2-fluorophenyl)methoxy]ethyl]piperidine;hydrochloride.
What is the SMILES notation for 4-[2-[(2-fluorophenyl)methoxy]ethyl]piperidine;hydrochloride?
The canonical SMILES for 4-[2-[(2-fluorophenyl)methoxy]ethyl]piperidine;hydrochloride is Cl.Fc1ccccc1COCCC1CCNCC1.
What is the InChIKey of 4-[2-[(2-fluorophenyl)methoxy]ethyl]piperidine;hydrochloride?
The InChIKey is VTDNEUIGSPBDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO.ClH/c15-14-4-2-1-3-13(14)11-17-10-7-12-5-8-16-9-6-12;/h1-4,12,16H,5-11H2;1H.
What are the key properties of 4-[2-[(2-fluorophenyl)methoxy]ethyl]piperidine;hydrochloride?
4-[2-[(2-fluorophenyl)methoxy]ethyl]piperidine;hydrochloride has a molecular weight of 273.78 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2-fluorophenyl)methoxy]ethyl]piperidine;hydrochloride is sourced from PubChem (CID 56829895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).