2,2-difluoro-1-[3-(methylaminomethyl)piperidin-1-yl]-2-phenylethanone;hydrochloride

C15H21ClF2N2O — CID 119396581

IUPAC2,2-difluoro-1-[3-(methylaminomethyl)piperidin-1-yl]-2-phenylethanone;hydrochloride
SMILESCNCC1CCCN(C(=O)C(F)(F)c2ccccc2)C1.Cl
InChIInChI=1S/C15H20F2N2O.ClH/c1-18-10-12-6-5-9-19(11-12)14(20)15(16,17)13-7-3-2-4-8-13;/h2-4,7-8,12,18H,5-6,9-11H2,1H3;1H
InChIKeyOGXOZVYDINXWOV-UHFFFAOYSA-N
MW318.79 g/mol
LogP2.66
Rot. Bonds4

About 2,2-difluoro-1-[3-(methylaminomethyl)piperidin-1-yl]-2-phenylethanone;hydrochloride

2,2-difluoro-1-[3-(methylaminomethyl)piperidin-1-yl]-2-phenylethanone;hydrochloride (PubChem CID 119396581) has the molecular formula C15H21ClF2N2O and a molecular weight of 318.79 g/mol. Its IUPAC name is 2,2-difluoro-1-[3-(methylaminomethyl)piperidin-1-yl]-2-phenylethanone;hydrochloride.

Molecular Properties

Compound Name2,2-difluoro-1-[3-(methylaminomethyl)piperidin-1-yl]-2-phenylethanone;hydrochloride
PubChem CID119396581
Molecular FormulaC15H21ClF2N2O
Molecular Weight318.79 g/mol
Exact Mass318.13
IUPAC Name2,2-difluoro-1-[3-(methylaminomethyl)piperidin-1-yl]-2-phenylethanone;hydrochloride
SMILESCNCC1CCCN(C(=O)C(F)(F)c2ccccc2)C1.Cl
InChIInChI=1S/C15H20F2N2O.ClH/c1-18-10-12-6-5-9-19(11-12)14(20)15(16,17)13-7-3-2-4-8-13;/h2-4,7-8,12,18H,5-6,9-11H2,1H3;1H
InChIKeyOGXOZVYDINXWOV-UHFFFAOYSA-N
XLogP2.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.79
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3R)-3-aminopyrrolidin-1-yl]-2,2-difluoro-2-phenylethanone;hydrochloride
CID 119411013
2-ethyl-1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-phenylbutan-1-one;hydrochloride
CID 119539919
2-methyl-1-[3-(methylaminomethyl)piperidin-1-yl]-2-(4-methylphenyl)propan-1-one;hydrochloride
CID 119395655
1-[3-(methylaminomethyl)piperidin-1-yl]-2,2-diphenylethanone;hydrochloride
CID 119397483
2-(4-chlorophenyl)-2-methyl-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119394762
2-[3-(methylaminomethyl)piperidine-1-carbonyl]benzoic acid
CID 61403916
1-[3-(methylaminomethyl)piperidin-1-yl]-2-[3-(trifluoromethyl)phenoxy]ethanone
CID 119395870
1-[3-(1-aminoethyl)piperidin-1-yl]-2,2-difluoro-2-phenylethanone
CID 119594480
[3,5-bis(trifluoromethyl)phenyl]-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119396545
1-[3-(methylaminomethyl)piperidin-1-yl]-2-phenylmethoxyethanone;hydrochloride
CID 119396606
(4-fluorophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119397460
3,3,3-trifluoro-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one
CID 61206563

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-[3-(methylaminomethyl)piperidin-1-yl]-2-phenylethanone;hydrochloride?
The IUPAC name of 2,2-difluoro-1-[3-(methylaminomethyl)piperidin-1-yl]-2-phenylethanone;hydrochloride (CID 119396581) is 2,2-difluoro-1-[3-(methylaminomethyl)piperidin-1-yl]-2-phenylethanone;hydrochloride.
What is the SMILES notation for 2,2-difluoro-1-[3-(methylaminomethyl)piperidin-1-yl]-2-phenylethanone;hydrochloride?
The canonical SMILES for 2,2-difluoro-1-[3-(methylaminomethyl)piperidin-1-yl]-2-phenylethanone;hydrochloride is CNCC1CCCN(C(=O)C(F)(F)c2ccccc2)C1.Cl.
What is the InChIKey of 2,2-difluoro-1-[3-(methylaminomethyl)piperidin-1-yl]-2-phenylethanone;hydrochloride?
The InChIKey is OGXOZVYDINXWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O.ClH/c1-18-10-12-6-5-9-19(11-12)14(20)15(16,17)13-7-3-2-4-8-13;/h2-4,7-8,12,18H,5-6,9-11H2,1H3;1H.
What are the key properties of 2,2-difluoro-1-[3-(methylaminomethyl)piperidin-1-yl]-2-phenylethanone;hydrochloride?
2,2-difluoro-1-[3-(methylaminomethyl)piperidin-1-yl]-2-phenylethanone;hydrochloride has a molecular weight of 318.79 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-[3-(methylaminomethyl)piperidin-1-yl]-2-phenylethanone;hydrochloride is sourced from PubChem (CID 119396581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).