3-[fluoro-(2-propan-2-yloxyphenyl)methyl]piperidine

C15H22FNO — CID 112565466

IUPAC3-[fluoro-(2-propan-2-yloxyphenyl)methyl]piperidine
SMILESCC(C)Oc1ccccc1C(F)C1CCCNC1
InChIInChI=1S/C15H22FNO/c1-11(2)18-14-8-4-3-7-13(14)15(16)12-6-5-9-17-10-12/h3-4,7-8,11-12,15,17H,5-6,9-10H2,1-2H3
InChIKeyNIZRORVFUBFYMB-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.48
Rot. Bonds4

About 3-[fluoro-(2-propan-2-yloxyphenyl)methyl]piperidine

3-[fluoro-(2-propan-2-yloxyphenyl)methyl]piperidine (PubChem CID 112565466) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 3-[fluoro-(2-propan-2-yloxyphenyl)methyl]piperidine.

Molecular Properties

Compound Name3-[fluoro-(2-propan-2-yloxyphenyl)methyl]piperidine
PubChem CID112565466
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name3-[fluoro-(2-propan-2-yloxyphenyl)methyl]piperidine
SMILESCC(C)Oc1ccccc1C(F)C1CCCNC1
InChIInChI=1S/C15H22FNO/c1-11(2)18-14-8-4-3-7-13(14)15(16)12-6-5-9-17-10-12/h3-4,7-8,11-12,15,17H,5-6,9-10H2,1-2H3
InChIKeyNIZRORVFUBFYMB-UHFFFAOYSA-N
XLogP3.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

piperidin-3-yl-(2-propan-2-yloxyphenyl)methanol
CID 80559408
3-[1-(2-cyclohexyloxyphenoxy)ethyl]piperidine
CID 68596370
3-[(3-bromo-2,4-dimethoxyphenyl)-fluoromethyl]piperidine
CID 103524207
piperidin-3-yl-(2-propan-2-yloxyphenyl)methanone
CID 116547957
cyclooctyl-(2-propan-2-yloxyphenyl)methanol
CID 80603247
3-piperidin-3-yl-N-(2-propan-2-yloxyphenyl)butanamide
CID 119714859
3-[1-(2-phenylmethoxyphenoxy)ethyl]piperidine
CID 68596615
3-[(2,5-dichlorophenyl)-fluoromethyl]piperidine
CID 112565315
3-[fluoro-(3-methoxyphenyl)methyl]piperidine
CID 84725285
(3S)-3-[(1S)-1-fluoroethyl]piperidine
CID 124547553
2-[(S)-(2-ethoxyphenoxy)-piperidin-3-ylmethyl]pyridine
CID 68596518
N-[1-(2-propan-2-yloxyphenyl)ethyl]cyclopropanamine
CID 103439093

Frequently Asked Questions

What is the IUPAC name of 3-[fluoro-(2-propan-2-yloxyphenyl)methyl]piperidine?
The IUPAC name of 3-[fluoro-(2-propan-2-yloxyphenyl)methyl]piperidine (CID 112565466) is 3-[fluoro-(2-propan-2-yloxyphenyl)methyl]piperidine.
What is the SMILES notation for 3-[fluoro-(2-propan-2-yloxyphenyl)methyl]piperidine?
The canonical SMILES for 3-[fluoro-(2-propan-2-yloxyphenyl)methyl]piperidine is CC(C)Oc1ccccc1C(F)C1CCCNC1.
What is the InChIKey of 3-[fluoro-(2-propan-2-yloxyphenyl)methyl]piperidine?
The InChIKey is NIZRORVFUBFYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-11(2)18-14-8-4-3-7-13(14)15(16)12-6-5-9-17-10-12/h3-4,7-8,11-12,15,17H,5-6,9-10H2,1-2H3.
What are the key properties of 3-[fluoro-(2-propan-2-yloxyphenyl)methyl]piperidine?
3-[fluoro-(2-propan-2-yloxyphenyl)methyl]piperidine has a molecular weight of 251.34 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[fluoro-(2-propan-2-yloxyphenyl)methyl]piperidine is sourced from PubChem (CID 112565466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).