2-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]piperidine

C15H22FNO — CID 82499355

IUPAC2-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]piperidine
SMILESCC(C)Oc1ccc(CC2CCCCN2)cc1F
InChIInChI=1S/C15H22FNO/c1-11(2)18-15-7-6-12(10-14(15)16)9-13-5-3-4-8-17-13/h6-7,10-11,13,17H,3-5,8-9H2,1-2H3
InChIKeyWMCIXRJRBJHYRK-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.30
Rot. Bonds4

About 2-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]piperidine

2-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]piperidine (PubChem CID 82499355) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 2-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]piperidine.

Molecular Properties

Compound Name2-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]piperidine
PubChem CID82499355
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name2-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]piperidine
SMILESCC(C)Oc1ccc(CC2CCCCN2)cc1F
InChIInChI=1S/C15H22FNO/c1-11(2)18-15-7-6-12(10-14(15)16)9-13-5-3-4-8-17-13/h6-7,10-11,13,17H,3-5,8-9H2,1-2H3
InChIKeyWMCIXRJRBJHYRK-UHFFFAOYSA-N
XLogP3.30
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 ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluoro-4-propan-2-yloxyphenyl)piperidine
CID 82291972
2-[(3-fluoro-4,5-dimethoxyphenyl)methyl]piperidine
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2-[[3-(fluoromethyl)-4-methoxyphenyl]methyl]piperidine
CID 117347458
(2S)-2-[(3-fluoro-4-methylphenyl)methyl]pyrrolidine
CID 58580794
2-[(3,4-diethoxyphenyl)methyl]piperidine
CID 62791915
2-[[3-(difluoromethyl)-4-methoxyphenyl]methyl]pyrrolidine
CID 117355063
2-[(3-fluoro-4-methylsulfonylphenyl)methyl]piperidine
CID 117431316
2-[(3-chloro-4-methoxyphenyl)methyl]piperidine
CID 82084437
2-fluoro-4-(pyrrolidin-2-ylmethyl)phenol
CID 82606233
2-fluoro-4-(pyrrolidin-2-ylmethyl)aniline
CID 84665550
2-[(4-cyclopropyloxy-3-methoxyphenyl)methyl]piperidine
CID 117408287
2-(difluoromethyl)-4-(piperidin-2-ylmethyl)phenol
CID 117355163

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]piperidine?
The IUPAC name of 2-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]piperidine (CID 82499355) is 2-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]piperidine.
What is the SMILES notation for 2-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]piperidine?
The canonical SMILES for 2-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]piperidine is CC(C)Oc1ccc(CC2CCCCN2)cc1F.
What is the InChIKey of 2-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]piperidine?
The InChIKey is WMCIXRJRBJHYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-11(2)18-15-7-6-12(10-14(15)16)9-13-5-3-4-8-17-13/h6-7,10-11,13,17H,3-5,8-9H2,1-2H3.
What are the key properties of 2-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]piperidine?
2-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]piperidine has a molecular weight of 251.34 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]piperidine is sourced from PubChem (CID 82499355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).