2-[2-fluoro-3-(4-fluoro-2-methylphenyl)-2-methylpropyl]piperidine

C16H23F2N — CID 114350316

IUPAC2-[2-fluoro-3-(4-fluoro-2-methylphenyl)-2-methylpropyl]piperidine
SMILESCc1cc(F)ccc1CC(C)(F)CC1CCCCN1
InChIInChI=1S/C16H23F2N/c1-12-9-14(17)7-6-13(12)10-16(2,18)11-15-5-3-4-8-19-15/h6-7,9,15,19H,3-5,8,10-11H2,1-2H3
InChIKeyLZRGKRYICQUIRB-UHFFFAOYSA-N
MW267.36 g/mol
LogP3.94
Rot. Bonds4

About 2-[2-fluoro-3-(4-fluoro-2-methylphenyl)-2-methylpropyl]piperidine

2-[2-fluoro-3-(4-fluoro-2-methylphenyl)-2-methylpropyl]piperidine (PubChem CID 114350316) has the molecular formula C16H23F2N and a molecular weight of 267.36 g/mol. Its IUPAC name is 2-[2-fluoro-3-(4-fluoro-2-methylphenyl)-2-methylpropyl]piperidine.

Molecular Properties

Compound Name2-[2-fluoro-3-(4-fluoro-2-methylphenyl)-2-methylpropyl]piperidine
PubChem CID114350316
Molecular FormulaC16H23F2N
Molecular Weight267.36 g/mol
Exact Mass267.18
IUPAC Name2-[2-fluoro-3-(4-fluoro-2-methylphenyl)-2-methylpropyl]piperidine
SMILESCc1cc(F)ccc1CC(C)(F)CC1CCCCN1
InChIInChI=1S/C16H23F2N/c1-12-9-14(17)7-6-13(12)10-16(2,18)11-15-5-3-4-8-19-15/h6-7,9,15,19H,3-5,8,10-11H2,1-2H3
InChIKeyLZRGKRYICQUIRB-UHFFFAOYSA-N
XLogP3.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-fluoro-2-methylphenyl)-2-methyl-3-piperidin-2-ylpropan-2-ol
CID 114347033
2-[3-(3,5-difluorophenyl)-2-fluoro-2-methylpropyl]piperidine
CID 105411766
2-[2-(2,4-difluorophenyl)-2,2-difluoroethyl]piperidine
CID 116840282
2-[2-fluoro-2-(2-fluoro-4,6-dimethylphenyl)propyl]piperidine
CID 106882953
2-[2-methyl-4-(trifluoromethyl)phenyl]-1-piperidin-2-ylpropan-2-ol
CID 102751951
3-bromo-5-(2-fluoro-2-methyl-3-piperidin-2-ylpropyl)pyridine
CID 113462354
2-(2-fluoro-2-methylbutyl)pyrrolidine
CID 105431305
(2S)-2-(4-fluoro-2-methylphenyl)piperidine
CID 55278633
1-(4-fluoro-2-methylphenyl)-2-methylpropan-2-amine
CID 22063499
1-(3-chloro-2-cyclopropyl-2-methylpropyl)-4-fluoro-2-methylbenzene
CID 114349943
2-[2-(2,5-dimethylphenyl)-2,2-difluoroethyl]pyrrolidine
CID 116840108
N-[(5-fluoro-2-methylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106599700

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-3-(4-fluoro-2-methylphenyl)-2-methylpropyl]piperidine?
The IUPAC name of 2-[2-fluoro-3-(4-fluoro-2-methylphenyl)-2-methylpropyl]piperidine (CID 114350316) is 2-[2-fluoro-3-(4-fluoro-2-methylphenyl)-2-methylpropyl]piperidine.
What is the SMILES notation for 2-[2-fluoro-3-(4-fluoro-2-methylphenyl)-2-methylpropyl]piperidine?
The canonical SMILES for 2-[2-fluoro-3-(4-fluoro-2-methylphenyl)-2-methylpropyl]piperidine is Cc1cc(F)ccc1CC(C)(F)CC1CCCCN1.
What is the InChIKey of 2-[2-fluoro-3-(4-fluoro-2-methylphenyl)-2-methylpropyl]piperidine?
The InChIKey is LZRGKRYICQUIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N/c1-12-9-14(17)7-6-13(12)10-16(2,18)11-15-5-3-4-8-19-15/h6-7,9,15,19H,3-5,8,10-11H2,1-2H3.
What are the key properties of 2-[2-fluoro-3-(4-fluoro-2-methylphenyl)-2-methylpropyl]piperidine?
2-[2-fluoro-3-(4-fluoro-2-methylphenyl)-2-methylpropyl]piperidine has a molecular weight of 267.36 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-3-(4-fluoro-2-methylphenyl)-2-methylpropyl]piperidine is sourced from PubChem (CID 114350316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).