1-(2,2-difluoroethyl)-3-[(4-iodophenoxy)methyl]piperidine

C14H18F2INO — CID 165429355

IUPAC1-(2,2-difluoroethyl)-3-[(4-iodophenoxy)methyl]piperidine
SMILESFC(F)CN1CCCC(COc2ccc(I)cc2)C1
InChIInChI=1S/C14H18F2INO/c15-14(16)9-18-7-1-2-11(8-18)10-19-13-5-3-12(17)4-6-13/h3-6,11,14H,1-2,7-10H2
InChIKeyWZCDLJVJXIHPMT-UHFFFAOYSA-N
MW381.20 g/mol
LogP3.65
Rot. Bonds5

About 1-(2,2-difluoroethyl)-3-[(4-iodophenoxy)methyl]piperidine

1-(2,2-difluoroethyl)-3-[(4-iodophenoxy)methyl]piperidine (PubChem CID 165429355) has the molecular formula C14H18F2INO and a molecular weight of 381.20 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-3-[(4-iodophenoxy)methyl]piperidine.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-3-[(4-iodophenoxy)methyl]piperidine
PubChem CID165429355
Molecular FormulaC14H18F2INO
Molecular Weight381.20 g/mol
Exact Mass381.04
IUPAC Name1-(2,2-difluoroethyl)-3-[(4-iodophenoxy)methyl]piperidine
SMILESFC(F)CN1CCCC(COc2ccc(I)cc2)C1
InChIInChI=1S/C14H18F2INO/c15-14(16)9-18-7-1-2-11(8-18)10-19-13-5-3-12(17)4-6-13/h3-6,11,14H,1-2,7-10H2
InChIKeyWZCDLJVJXIHPMT-UHFFFAOYSA-N
XLogP3.65
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.20
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1-(2,2-difluoroethyl)-3-[(4-iodophenoxy)methyl]piperidine;hydrochloride
CID 165429342
(3S)-3-[(3-bromophenoxy)methyl]-1-(2,2-difluoroethyl)piperidine;hydrochloride
CID 165429338
2-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]acetamide
CID 110258523
2-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]acetic acid
CID 165429432
1-(2-fluoroethyl)-4-[(4-iodophenoxy)methyl]piperidine
CID 10808677
3-[(4-fluorophenoxy)methyl]-1-methanidylpiperidine
CID 123811801
1-[3-[(4-aminophenoxy)methyl]piperidin-1-yl]-3-(4-chlorophenoxy)propan-2-ol
CID 142125033
1-[3-(ethoxymethyl)piperidin-1-yl]-3-(4-fluorophenoxy)propan-2-ol
CID 111148127
3-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]propan-1-imine;hydrochloride
CID 19763371
4-[[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methyl]-2-propan-2-ylpyrimidine
CID 56890608
[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-(4-hydroxycyclohexyl)methanone
CID 70738185
1-[4-[2-hydroxy-3-[3-(phenoxymethyl)piperidin-1-yl]propoxy]phenyl]propan-1-one
CID 86973070

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-3-[(4-iodophenoxy)methyl]piperidine?
The IUPAC name of 1-(2,2-difluoroethyl)-3-[(4-iodophenoxy)methyl]piperidine (CID 165429355) is 1-(2,2-difluoroethyl)-3-[(4-iodophenoxy)methyl]piperidine.
What is the SMILES notation for 1-(2,2-difluoroethyl)-3-[(4-iodophenoxy)methyl]piperidine?
The canonical SMILES for 1-(2,2-difluoroethyl)-3-[(4-iodophenoxy)methyl]piperidine is FC(F)CN1CCCC(COc2ccc(I)cc2)C1.
What is the InChIKey of 1-(2,2-difluoroethyl)-3-[(4-iodophenoxy)methyl]piperidine?
The InChIKey is WZCDLJVJXIHPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2INO/c15-14(16)9-18-7-1-2-11(8-18)10-19-13-5-3-12(17)4-6-13/h3-6,11,14H,1-2,7-10H2.
What are the key properties of 1-(2,2-difluoroethyl)-3-[(4-iodophenoxy)methyl]piperidine?
1-(2,2-difluoroethyl)-3-[(4-iodophenoxy)methyl]piperidine has a molecular weight of 381.20 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-3-[(4-iodophenoxy)methyl]piperidine is sourced from PubChem (CID 165429355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).