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

C15H19F3N2O2 — CID 119545556

IUPAC[4-(methylaminomethyl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
SMILESCNCC1CCN(C(=O)c2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C15H19F3N2O2/c1-19-10-11-6-8-20(9-7-11)14(21)12-2-4-13(5-3-12)22-15(16,17)18/h2-5,11,19H,6-10H2,1H3
InChIKeyJRHTZPRPUZJWOM-UHFFFAOYSA-N
MW316.32 g/mol
LogP2.66
Rot. Bonds4

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

[4-(methylaminomethyl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone (PubChem CID 119545556) has the molecular formula C15H19F3N2O2 and a molecular weight of 316.32 g/mol. Its IUPAC name is [4-(methylaminomethyl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone.

Molecular Properties

Compound Name[4-(methylaminomethyl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
PubChem CID119545556
Molecular FormulaC15H19F3N2O2
Molecular Weight316.32 g/mol
Exact Mass316.14
IUPAC Name[4-(methylaminomethyl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
SMILESCNCC1CCN(C(=O)c2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C15H19F3N2O2/c1-19-10-11-6-8-20(9-7-11)14(21)12-2-4-13(5-3-12)22-15(16,17)18/h2-5,11,19H,6-10H2,1H3
InChIKeyJRHTZPRPUZJWOM-UHFFFAOYSA-N
XLogP2.66
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 124592579
[4-(methylaminomethyl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 63248675
[4-(difluoromethoxy)phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63251080
[4-(methylaminomethyl)piperidin-1-yl]-phenylmethanone
CID 22983162
(4-iodophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119542556
(4-butoxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119543778
[4-(methylaminomethyl)piperidin-1-yl]-(4-prop-2-enoxyphenyl)methanone;hydrochloride
CID 119546206
[4-(methylaminomethyl)piperidin-1-yl]-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanone
CID 119546141
[4-fluoro-3-(trifluoromethyl)phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119546114
N-[4-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]acetamide;hydrochloride
CID 119542570
[4-(methoxymethyl)phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119546036
[3-(methylaminomethyl)pyrrolidin-1-yl]-[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]methanone
CID 119539267

Frequently Asked Questions

What is the IUPAC name of [4-(methylaminomethyl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone?
The IUPAC name of [4-(methylaminomethyl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone (CID 119545556) is [4-(methylaminomethyl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone.
What is the SMILES notation for [4-(methylaminomethyl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone?
The canonical SMILES for [4-(methylaminomethyl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone is CNCC1CCN(C(=O)c2ccc(OC(F)(F)F)cc2)CC1.
What is the InChIKey of [4-(methylaminomethyl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone?
The InChIKey is JRHTZPRPUZJWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O2/c1-19-10-11-6-8-20(9-7-11)14(21)12-2-4-13(5-3-12)22-15(16,17)18/h2-5,11,19H,6-10H2,1H3.
What are the key properties of [4-(methylaminomethyl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone?
[4-(methylaminomethyl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone has a molecular weight of 316.32 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methylaminomethyl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone is sourced from PubChem (CID 119545556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).