4-[(3-fluorophenyl)methyl]-1-(2-phenoxyethyl)piperidine;hydrochloride

C20H25ClFNO — CID 23294547

IUPAC4-[(3-fluorophenyl)methyl]-1-(2-phenoxyethyl)piperidine;hydrochloride
SMILESCl.Fc1cccc(CC2CCN(CCOc3ccccc3)CC2)c1
InChIInChI=1S/C20H24FNO.ClH/c21-19-6-4-5-18(16-19)15-17-9-11-22(12-10-17)13-14-23-20-7-2-1-3-8-20;/h1-8,16-17H,9-15H2;1H
InChIKeyGVWBTCFABLMHEQ-UHFFFAOYSA-N
MW349.88 g/mol
LogP4.58
Rot. Bonds6

About 4-[(3-fluorophenyl)methyl]-1-(2-phenoxyethyl)piperidine;hydrochloride

4-[(3-fluorophenyl)methyl]-1-(2-phenoxyethyl)piperidine;hydrochloride (PubChem CID 23294547) has the molecular formula C20H25ClFNO and a molecular weight of 349.88 g/mol. Its IUPAC name is 4-[(3-fluorophenyl)methyl]-1-(2-phenoxyethyl)piperidine;hydrochloride.

Molecular Properties

Compound Name4-[(3-fluorophenyl)methyl]-1-(2-phenoxyethyl)piperidine;hydrochloride
PubChem CID23294547
Molecular FormulaC20H25ClFNO
Molecular Weight349.88 g/mol
Exact Mass349.16
IUPAC Name4-[(3-fluorophenyl)methyl]-1-(2-phenoxyethyl)piperidine;hydrochloride
SMILESCl.Fc1cccc(CC2CCN(CCOc3ccccc3)CC2)c1
InChIInChI=1S/C20H24FNO.ClH/c21-19-6-4-5-18(16-19)15-17-9-11-22(12-10-17)13-14-23-20-7-2-1-3-8-20;/h1-8,16-17H,9-15H2;1H
InChIKeyGVWBTCFABLMHEQ-UHFFFAOYSA-N
XLogP4.58
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.88
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-benzyl-1-(2-phenoxyethyl)piperidine;oxalic acid
CID 2923141
4-benzyl-1-[2-[3-(trifluoromethyl)phenoxy]ethyl]piperidine
CID 23294464
3-[(3-chlorophenyl)methyl]-1-(2-phenoxyethyl)pyrrolidine
CID 67647985
4-[2-(4-benzylpiperidin-1-yl)ethoxy]phenol
CID 10086803
[1-(2-phenoxyethyl)piperidin-4-yl]methanamine;hydrochloride
CID 119909793
1-(2-phenoxyethyl)-4-(4-phenylbutyl)piperidine;hydrochloride
CID 117067777
ethane;4-[(3-fluorophenyl)methyl]-1-methylpiperidine
CID 163281895
1-[3-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]propyl]-4-methylpiperazine
CID 75518320
1-[2-(4-fluorophenoxy)ethyl]-4-[(4-methoxyphenyl)methyl]piperidine;hydrochloride
CID 23294491
1-[3-(4-fluorophenoxy)propyl]-4-[(4-fluorophenyl)methyl]piperidine
CID 10831375
4-[2-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]ethoxy]phenol;hydrochloride
CID 23294365
4-[(2-chlorophenyl)methyl]-1-[2-(4-phenylmethoxyphenoxy)ethyl]piperidine
CID 70293631

Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluorophenyl)methyl]-1-(2-phenoxyethyl)piperidine;hydrochloride?
The IUPAC name of 4-[(3-fluorophenyl)methyl]-1-(2-phenoxyethyl)piperidine;hydrochloride (CID 23294547) is 4-[(3-fluorophenyl)methyl]-1-(2-phenoxyethyl)piperidine;hydrochloride.
What is the SMILES notation for 4-[(3-fluorophenyl)methyl]-1-(2-phenoxyethyl)piperidine;hydrochloride?
The canonical SMILES for 4-[(3-fluorophenyl)methyl]-1-(2-phenoxyethyl)piperidine;hydrochloride is Cl.Fc1cccc(CC2CCN(CCOc3ccccc3)CC2)c1.
What is the InChIKey of 4-[(3-fluorophenyl)methyl]-1-(2-phenoxyethyl)piperidine;hydrochloride?
The InChIKey is GVWBTCFABLMHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO.ClH/c21-19-6-4-5-18(16-19)15-17-9-11-22(12-10-17)13-14-23-20-7-2-1-3-8-20;/h1-8,16-17H,9-15H2;1H.
What are the key properties of 4-[(3-fluorophenyl)methyl]-1-(2-phenoxyethyl)piperidine;hydrochloride?
4-[(3-fluorophenyl)methyl]-1-(2-phenoxyethyl)piperidine;hydrochloride has a molecular weight of 349.88 g/mol, XLogP of 4.58, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluorophenyl)methyl]-1-(2-phenoxyethyl)piperidine;hydrochloride is sourced from PubChem (CID 23294547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).