1-[1-(2,2-difluoro-2-phenylethyl)piperidin-2-yl]-N-methylmethanamine

C15H22F2N2 — CID 116789649

IUPAC1-[1-(2,2-difluoro-2-phenylethyl)piperidin-2-yl]-N-methylmethanamine
SMILESCNCC1CCCCN1CC(F)(F)c1ccccc1
InChIInChI=1S/C15H22F2N2/c1-18-11-14-9-5-6-10-19(14)12-15(16,17)13-7-3-2-4-8-13/h2-4,7-8,14,18H,5-6,9-12H2,1H3
InChIKeyPYFMCIBUSKMMRV-UHFFFAOYSA-N
MW268.35 g/mol
LogP2.85
Rot. Bonds5

About 1-[1-(2,2-difluoro-2-phenylethyl)piperidin-2-yl]-N-methylmethanamine

1-[1-(2,2-difluoro-2-phenylethyl)piperidin-2-yl]-N-methylmethanamine (PubChem CID 116789649) has the molecular formula C15H22F2N2 and a molecular weight of 268.35 g/mol. Its IUPAC name is 1-[1-(2,2-difluoro-2-phenylethyl)piperidin-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(2,2-difluoro-2-phenylethyl)piperidin-2-yl]-N-methylmethanamine
PubChem CID116789649
Molecular FormulaC15H22F2N2
Molecular Weight268.35 g/mol
Exact Mass268.18
IUPAC Name1-[1-(2,2-difluoro-2-phenylethyl)piperidin-2-yl]-N-methylmethanamine
SMILESCNCC1CCCCN1CC(F)(F)c1ccccc1
InChIInChI=1S/C15H22F2N2/c1-18-11-14-9-5-6-10-19(14)12-15(16,17)13-7-3-2-4-8-13/h2-4,7-8,14,18H,5-6,9-12H2,1H3
InChIKeyPYFMCIBUSKMMRV-UHFFFAOYSA-N
XLogP2.85
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(2,2-difluoro-2-phenylethyl)piperidin-2-yl]propan-2-ol
CID 114338111
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-phenylpropan-2-ol
CID 113285351
N-methyl-1-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]methanamine
CID 63249109
2-[2-(methylaminomethyl)piperidin-1-yl]-1-phenylethanol
CID 55169694
2-phenyl-1-[2-(propylaminomethyl)piperidin-1-yl]propan-2-ol
CID 63848691
N-methyl-1-[1-(2-phenylprop-2-enyl)pyrrolidin-2-yl]methanamine
CID 115328538
1-(2,2-difluoro-2-phenylethyl)-2-pyrrolidin-2-ylpiperidine
CID 116790042
1-(2,2-difluoro-2-phenylethyl)piperidine
CID 70652192
N-benzyl-2-[2-(methylaminomethyl)piperidin-1-yl]acetamide
CID 63249994
N-[[1-(2,2-dimethylpropyl)pyrrolidin-2-yl]methyl]aniline
CID 58780771
1-[1-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine;hydrochloride
CID 119928352
2-(methylamino)-2-phenyl-3-(2-propylpiperidin-1-yl)propanenitrile
CID 83045205

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,2-difluoro-2-phenylethyl)piperidin-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(2,2-difluoro-2-phenylethyl)piperidin-2-yl]-N-methylmethanamine (CID 116789649) is 1-[1-(2,2-difluoro-2-phenylethyl)piperidin-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(2,2-difluoro-2-phenylethyl)piperidin-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(2,2-difluoro-2-phenylethyl)piperidin-2-yl]-N-methylmethanamine is CNCC1CCCCN1CC(F)(F)c1ccccc1.
What is the InChIKey of 1-[1-(2,2-difluoro-2-phenylethyl)piperidin-2-yl]-N-methylmethanamine?
The InChIKey is PYFMCIBUSKMMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2/c1-18-11-14-9-5-6-10-19(14)12-15(16,17)13-7-3-2-4-8-13/h2-4,7-8,14,18H,5-6,9-12H2,1H3.
What are the key properties of 1-[1-(2,2-difluoro-2-phenylethyl)piperidin-2-yl]-N-methylmethanamine?
1-[1-(2,2-difluoro-2-phenylethyl)piperidin-2-yl]-N-methylmethanamine has a molecular weight of 268.35 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,2-difluoro-2-phenylethyl)piperidin-2-yl]-N-methylmethanamine is sourced from PubChem (CID 116789649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).