(2R,5R)-1-benzyl-2-(difluoromethyl)-5-methylpiperidine

C14H19F2N — CID 158286419

IUPAC(2R,5R)-1-benzyl-2-(difluoromethyl)-5-methylpiperidine
SMILESC[C@@H]1CC[C@H](C(F)F)N(Cc2ccccc2)C1
InChIInChI=1S/C14H19F2N/c1-11-7-8-13(14(15)16)17(9-11)10-12-5-3-2-4-6-12/h2-6,11,13-14H,7-10H2,1H3/t11-,13-/m1/s1
InChIKeyQLWRRKFAVVMHOF-DGCLKSJQSA-N
MW239.31 g/mol
LogP3.55
Rot. Bonds3

About (2R,5R)-1-benzyl-2-(difluoromethyl)-5-methylpiperidine

(2R,5R)-1-benzyl-2-(difluoromethyl)-5-methylpiperidine (PubChem CID 158286419) has the molecular formula C14H19F2N and a molecular weight of 239.31 g/mol. Its IUPAC name is (2R,5R)-1-benzyl-2-(difluoromethyl)-5-methylpiperidine.

Molecular Properties

Compound Name(2R,5R)-1-benzyl-2-(difluoromethyl)-5-methylpiperidine
PubChem CID158286419
Molecular FormulaC14H19F2N
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name(2R,5R)-1-benzyl-2-(difluoromethyl)-5-methylpiperidine
SMILESC[C@@H]1CC[C@H](C(F)F)N(Cc2ccccc2)C1
InChIInChI=1S/C14H19F2N/c1-11-7-8-13(14(15)16)17(9-11)10-12-5-3-2-4-6-12/h2-6,11,13-14H,7-10H2,1H3/t11-,13-/m1/s1
InChIKeyQLWRRKFAVVMHOF-DGCLKSJQSA-N
XLogP3.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1-benzyl-5-methylpiperidin-2-yl)propan-1-ol
CID 146513963
1-benzyl-2,5-dimethylpiperidine
CID 73200484
(4S)-1-benzyl-2,4-dimethylpyrrolidine
CID 118651465
(2S,4R)-1-benzyl-2,4-dimethylpyrrolidine
CID 15316822
1-benzyl-6-methylpiperidine-3,4-diol
CID 6421584
(2S,5S)-1-benzyl-5-methyl-2-propan-2-ylpiperazine
CID 46705371
[(2R,4S)-1-benzyl-4-methylpyrrolidin-2-yl]methanol
CID 23248612
1-benzyl-2,5-dimethylpiperidin-3-one
CID 54593754
1-benzyl-2-butan-2-yl-5-methylpiperazine
CID 64845112
1-benzyl-3-methylpiperidine
CID 2794856
(2R,3R)-1-benzyl-3-fluoro-2-methylpyrrolidine
CID 126557725
(2S,3R)-1-benzyl-3-fluoro-2-methylpyrrolidine
CID 126524305

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-1-benzyl-2-(difluoromethyl)-5-methylpiperidine?
The IUPAC name of (2R,5R)-1-benzyl-2-(difluoromethyl)-5-methylpiperidine (CID 158286419) is (2R,5R)-1-benzyl-2-(difluoromethyl)-5-methylpiperidine.
What is the SMILES notation for (2R,5R)-1-benzyl-2-(difluoromethyl)-5-methylpiperidine?
The canonical SMILES for (2R,5R)-1-benzyl-2-(difluoromethyl)-5-methylpiperidine is C[C@@H]1CC[C@H](C(F)F)N(Cc2ccccc2)C1.
What is the InChIKey of (2R,5R)-1-benzyl-2-(difluoromethyl)-5-methylpiperidine?
The InChIKey is QLWRRKFAVVMHOF-DGCLKSJQSA-N. The full InChI is InChI=1S/C14H19F2N/c1-11-7-8-13(14(15)16)17(9-11)10-12-5-3-2-4-6-12/h2-6,11,13-14H,7-10H2,1H3/t11-,13-/m1/s1.
What are the key properties of (2R,5R)-1-benzyl-2-(difluoromethyl)-5-methylpiperidine?
(2R,5R)-1-benzyl-2-(difluoromethyl)-5-methylpiperidine has a molecular weight of 239.31 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-1-benzyl-2-(difluoromethyl)-5-methylpiperidine is sourced from PubChem (CID 158286419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).