2-[[5-(difluoromethyl)-2-methylphenyl]methyl]piperidine

C14H19F2N — CID 117351246

IUPAC2-[[5-(difluoromethyl)-2-methylphenyl]methyl]piperidine
SMILESCc1ccc(C(F)F)cc1CC1CCCCN1
InChIInChI=1S/C14H19F2N/c1-10-5-6-11(14(15)16)8-12(10)9-13-4-2-3-7-17-13/h5-6,8,13-14,17H,2-4,7,9H2,1H3
InChIKeyGFUPOIMOLZJODB-UHFFFAOYSA-N
MW239.31 g/mol
LogP3.62
Rot. Bonds3

About 2-[[5-(difluoromethyl)-2-methylphenyl]methyl]piperidine

2-[[5-(difluoromethyl)-2-methylphenyl]methyl]piperidine (PubChem CID 117351246) has the molecular formula C14H19F2N and a molecular weight of 239.31 g/mol. Its IUPAC name is 2-[[5-(difluoromethyl)-2-methylphenyl]methyl]piperidine.

Molecular Properties

Compound Name2-[[5-(difluoromethyl)-2-methylphenyl]methyl]piperidine
PubChem CID117351246
Molecular FormulaC14H19F2N
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name2-[[5-(difluoromethyl)-2-methylphenyl]methyl]piperidine
SMILESCc1ccc(C(F)F)cc1CC1CCCCN1
InChIInChI=1S/C14H19F2N/c1-10-5-6-11(14(15)16)8-12(10)9-13-4-2-3-7-17-13/h5-6,8,13-14,17H,2-4,7,9H2,1H3
InChIKeyGFUPOIMOLZJODB-UHFFFAOYSA-N
XLogP3.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2-methyl-5-propan-2-ylphenyl)methyl]piperidine
CID 82495630
2-[[5-(1-fluoroethyl)-2-methoxyphenyl]methyl]pyrrolidine
CID 84700259
2-(difluoromethyl)-6-(piperidin-2-ylmethyl)-4-propan-2-ylphenol
CID 117455589
2-[[5-(difluoromethyl)-2,3-difluorophenyl]methyl]pyrrolidine
CID 117369679
2-[(2,3-difluoro-5-propan-2-ylphenyl)methyl]piperidine
CID 117386486
N-[(2-methyl-5-propan-2-ylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine
CID 115208280
2-[(2,3-difluoro-4-methylphenyl)methyl]pyrrolidine
CID 117301581
2-(difluoromethyl)-4-(piperidin-2-ylmethyl)phenol
CID 117355163
(2R)-2-[(2-methylphenyl)methyl]pyrrolidine
CID 7047857
4-(1-fluoroethyl)-N-(piperidin-2-ylmethyl)aniline
CID 115041678
2-[(2-chloro-3,5-dimethylphenyl)methyl]piperidine
CID 117348318
2-[(2-chloro-3-fluoro-4-methylphenyl)methyl]pyrrolidine
CID 117327912

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(difluoromethyl)-2-methylphenyl]methyl]piperidine?
The IUPAC name of 2-[[5-(difluoromethyl)-2-methylphenyl]methyl]piperidine (CID 117351246) is 2-[[5-(difluoromethyl)-2-methylphenyl]methyl]piperidine.
What is the SMILES notation for 2-[[5-(difluoromethyl)-2-methylphenyl]methyl]piperidine?
The canonical SMILES for 2-[[5-(difluoromethyl)-2-methylphenyl]methyl]piperidine is Cc1ccc(C(F)F)cc1CC1CCCCN1.
What is the InChIKey of 2-[[5-(difluoromethyl)-2-methylphenyl]methyl]piperidine?
The InChIKey is GFUPOIMOLZJODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N/c1-10-5-6-11(14(15)16)8-12(10)9-13-4-2-3-7-17-13/h5-6,8,13-14,17H,2-4,7,9H2,1H3.
What are the key properties of 2-[[5-(difluoromethyl)-2-methylphenyl]methyl]piperidine?
2-[[5-(difluoromethyl)-2-methylphenyl]methyl]piperidine has a molecular weight of 239.31 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(difluoromethyl)-2-methylphenyl]methyl]piperidine is sourced from PubChem (CID 117351246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).