[4-(methylaminomethyl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone

C15H19F3N2O — CID 63248675

IUPAC[4-(methylaminomethyl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
SMILESCNCC1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C15H19F3N2O/c1-19-10-11-6-8-20(9-7-11)14(21)12-2-4-13(5-3-12)15(16,17)18/h2-5,11,19H,6-10H2,1H3
InChIKeyDWMJDPXQYSKJMB-UHFFFAOYSA-N
MW300.32 g/mol
LogP2.78
Rot. Bonds3

About [4-(methylaminomethyl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone

[4-(methylaminomethyl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone (PubChem CID 63248675) has the molecular formula C15H19F3N2O and a molecular weight of 300.32 g/mol. Its IUPAC name is [4-(methylaminomethyl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[4-(methylaminomethyl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
PubChem CID63248675
Molecular FormulaC15H19F3N2O
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC Name[4-(methylaminomethyl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
SMILESCNCC1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C15H19F3N2O/c1-19-10-11-6-8-20(9-7-11)14(21)12-2-4-13(5-3-12)15(16,17)18/h2-5,11,19H,6-10H2,1H3
InChIKeyDWMJDPXQYSKJMB-UHFFFAOYSA-N
XLogP2.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(methylaminomethyl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 119545556
[4-(methylaminomethyl)piperidin-1-yl]-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanone
CID 119546141
[4-(methylaminomethyl)piperidin-1-yl]-phenylmethanone
CID 22983162
[4-fluoro-3-(trifluoromethyl)phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119546114
(4-iodophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119542556
[4-(difluoromethoxy)phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63251080
[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 124592579
N-[4-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]acetamide;hydrochloride
CID 119542570
[4-(methoxymethyl)phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119546036
tert-butyl N-[2-oxo-2-[[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methylamino]ethyl]carbamate
CID 108916563
(4-hydroxypiperidin-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 139087671
3-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]propyl methanesulfonate
CID 87994851

Frequently Asked Questions

What is the IUPAC name of [4-(methylaminomethyl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [4-(methylaminomethyl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone (CID 63248675) is [4-(methylaminomethyl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [4-(methylaminomethyl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [4-(methylaminomethyl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone is CNCC1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of [4-(methylaminomethyl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
The InChIKey is DWMJDPXQYSKJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O/c1-19-10-11-6-8-20(9-7-11)14(21)12-2-4-13(5-3-12)15(16,17)18/h2-5,11,19H,6-10H2,1H3.
What are the key properties of [4-(methylaminomethyl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
[4-(methylaminomethyl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone has a molecular weight of 300.32 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methylaminomethyl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 63248675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).