2-[(2,3-difluoro-5-propan-2-ylphenyl)methyl]piperidine

C15H21F2N — CID 117386486

IUPAC2-[(2,3-difluoro-5-propan-2-ylphenyl)methyl]piperidine
SMILESCC(C)c1cc(F)c(F)c(CC2CCCCN2)c1
InChIInChI=1S/C15H21F2N/c1-10(2)11-7-12(15(17)14(16)9-11)8-13-5-3-4-6-18-13/h7,9-10,13,18H,3-6,8H2,1-2H3
InChIKeySJDBDGPSJITSHW-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.77
Rot. Bonds3

About 2-[(2,3-difluoro-5-propan-2-ylphenyl)methyl]piperidine

2-[(2,3-difluoro-5-propan-2-ylphenyl)methyl]piperidine (PubChem CID 117386486) has the molecular formula C15H21F2N and a molecular weight of 253.34 g/mol. Its IUPAC name is 2-[(2,3-difluoro-5-propan-2-ylphenyl)methyl]piperidine.

Molecular Properties

Compound Name2-[(2,3-difluoro-5-propan-2-ylphenyl)methyl]piperidine
PubChem CID117386486
Molecular FormulaC15H21F2N
Molecular Weight253.34 g/mol
Exact Mass253.16
IUPAC Name2-[(2,3-difluoro-5-propan-2-ylphenyl)methyl]piperidine
SMILESCC(C)c1cc(F)c(F)c(CC2CCCCN2)c1
InChIInChI=1S/C15H21F2N/c1-10(2)11-7-12(15(17)14(16)9-11)8-13-5-3-4-6-18-13/h7,9-10,13,18H,3-6,8H2,1-2H3
InChIKeySJDBDGPSJITSHW-UHFFFAOYSA-N
XLogP3.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[[5-(difluoromethyl)-2,3-difluorophenyl]methyl]pyrrolidine
CID 117369679
2-[(2,3,5-trifluorophenyl)methyl]piperidine
CID 117118174
2-(difluoromethyl)-6-(piperidin-2-ylmethyl)-4-propan-2-ylphenol
CID 117455589
2-[(2-methyl-5-propan-2-ylphenyl)methyl]piperidine
CID 82495630
2-[(2,3-difluoro-5-methylsulfonylphenyl)methyl]piperidine
CID 117467481
2-[(3-chloro-2,4,5-trifluorophenyl)methyl]piperidine
CID 117118178
2-[[5-(difluoromethyl)-2-methylphenyl]methyl]piperidine
CID 117351246
4-fluoro-5-methyl-2-(piperidin-2-ylmethyl)phenol
CID 117320372
2-[(2,5-difluoro-3-methoxyphenyl)methyl]piperidine
CID 117355169
2-[(3,4,5-trifluorophenyl)methyl]pyrrolidine
CID 104688006
4-fluoro-5-methyl-2-(pyrrolidin-2-ylmethyl)phenol
CID 117298865
3-fluoro-6-methyl-4-(pyrrolidin-2-ylmethyl)benzene-1,2-diol
CID 117323559

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-difluoro-5-propan-2-ylphenyl)methyl]piperidine?
The IUPAC name of 2-[(2,3-difluoro-5-propan-2-ylphenyl)methyl]piperidine (CID 117386486) is 2-[(2,3-difluoro-5-propan-2-ylphenyl)methyl]piperidine.
What is the SMILES notation for 2-[(2,3-difluoro-5-propan-2-ylphenyl)methyl]piperidine?
The canonical SMILES for 2-[(2,3-difluoro-5-propan-2-ylphenyl)methyl]piperidine is CC(C)c1cc(F)c(F)c(CC2CCCCN2)c1.
What is the InChIKey of 2-[(2,3-difluoro-5-propan-2-ylphenyl)methyl]piperidine?
The InChIKey is SJDBDGPSJITSHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N/c1-10(2)11-7-12(15(17)14(16)9-11)8-13-5-3-4-6-18-13/h7,9-10,13,18H,3-6,8H2,1-2H3.
What are the key properties of 2-[(2,3-difluoro-5-propan-2-ylphenyl)methyl]piperidine?
2-[(2,3-difluoro-5-propan-2-ylphenyl)methyl]piperidine has a molecular weight of 253.34 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-difluoro-5-propan-2-ylphenyl)methyl]piperidine is sourced from PubChem (CID 117386486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).