2-[4-(2-fluoropropan-2-yl)-2,5-dimethoxyphenyl]piperidine

C16H24FNO2 — CID 117451731

IUPAC2-[4-(2-fluoropropan-2-yl)-2,5-dimethoxyphenyl]piperidine
SMILESCOc1cc(C(C)(C)F)c(OC)cc1C1CCCCN1
InChIInChI=1S/C16H24FNO2/c1-16(2,17)12-10-14(19-3)11(9-15(12)20-4)13-7-5-6-8-18-13/h9-10,13,18H,5-8H2,1-4H3
InChIKeyIEUPGILFBUNVLJ-UHFFFAOYSA-N
MW281.37 g/mol
LogP3.72
Rot. Bonds4

About 2-[4-(2-fluoropropan-2-yl)-2,5-dimethoxyphenyl]piperidine

2-[4-(2-fluoropropan-2-yl)-2,5-dimethoxyphenyl]piperidine (PubChem CID 117451731) has the molecular formula C16H24FNO2 and a molecular weight of 281.37 g/mol. Its IUPAC name is 2-[4-(2-fluoropropan-2-yl)-2,5-dimethoxyphenyl]piperidine.

Molecular Properties

Compound Name2-[4-(2-fluoropropan-2-yl)-2,5-dimethoxyphenyl]piperidine
PubChem CID117451731
Molecular FormulaC16H24FNO2
Molecular Weight281.37 g/mol
Exact Mass281.18
IUPAC Name2-[4-(2-fluoropropan-2-yl)-2,5-dimethoxyphenyl]piperidine
SMILESCOc1cc(C(C)(C)F)c(OC)cc1C1CCCCN1
InChIInChI=1S/C16H24FNO2/c1-16(2,17)12-10-14(19-3)11(9-15(12)20-4)13-7-5-6-8-18-13/h9-10,13,18H,5-8H2,1-4H3
InChIKeyIEUPGILFBUNVLJ-UHFFFAOYSA-N
XLogP3.72
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4,5-trimethoxyphenyl)azepane
CID 62543409
2-(2-fluoro-5-methoxy-4-methylphenyl)piperidine
CID 84789182
2-(2,5-dimethoxy-4-propan-2-ylphenyl)piperidine
CID 117413709
2-[4-(fluoromethyl)-2,5-dimethoxyphenyl]pyrrolidine
CID 84701260
(2S)-2-[2-methoxy-4-(trifluoromethyl)phenyl]piperidine;hydrochloride
CID 171195272
(2S)-2-(4-fluoro-2-methoxyphenyl)piperidine
CID 96773994
2-[3-(1,1-difluoroethyl)-2-methoxy-5-methylphenyl]piperidine
CID 117426620
(2S)-2-(2,4-dimethoxyphenyl)piperidine
CID 7022848
2-[2-(1-fluoroethyl)-4,5-dimethoxyphenyl]piperidine
CID 117421939
2-[2-methoxy-5-(trifluoromethyl)phenyl]pyrrolidine
CID 77131939
2,5-dimethoxy-N,N-dimethyl-4-pyrrolidin-2-ylaniline
CID 117379645
2-[2-(fluoromethyl)-4,5-dimethoxyphenyl]pyrrolidine
CID 84701267

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluoropropan-2-yl)-2,5-dimethoxyphenyl]piperidine?
The IUPAC name of 2-[4-(2-fluoropropan-2-yl)-2,5-dimethoxyphenyl]piperidine (CID 117451731) is 2-[4-(2-fluoropropan-2-yl)-2,5-dimethoxyphenyl]piperidine.
What is the SMILES notation for 2-[4-(2-fluoropropan-2-yl)-2,5-dimethoxyphenyl]piperidine?
The canonical SMILES for 2-[4-(2-fluoropropan-2-yl)-2,5-dimethoxyphenyl]piperidine is COc1cc(C(C)(C)F)c(OC)cc1C1CCCCN1.
What is the InChIKey of 2-[4-(2-fluoropropan-2-yl)-2,5-dimethoxyphenyl]piperidine?
The InChIKey is IEUPGILFBUNVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO2/c1-16(2,17)12-10-14(19-3)11(9-15(12)20-4)13-7-5-6-8-18-13/h9-10,13,18H,5-8H2,1-4H3.
What are the key properties of 2-[4-(2-fluoropropan-2-yl)-2,5-dimethoxyphenyl]piperidine?
2-[4-(2-fluoropropan-2-yl)-2,5-dimethoxyphenyl]piperidine has a molecular weight of 281.37 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluoropropan-2-yl)-2,5-dimethoxyphenyl]piperidine is sourced from PubChem (CID 117451731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).