1-[4-(methylamino)piperidin-1-yl]-3-[2-(trifluoromethoxy)phenyl]propan-1-one

C16H21F3N2O2 — CID 119562922

IUPAC1-[4-(methylamino)piperidin-1-yl]-3-[2-(trifluoromethoxy)phenyl]propan-1-one
SMILESCNC1CCN(C(=O)CCc2ccccc2OC(F)(F)F)CC1
InChIInChI=1S/C16H21F3N2O2/c1-20-13-8-10-21(11-9-13)15(22)7-6-12-4-2-3-5-14(12)23-16(17,18)19/h2-5,13,20H,6-11H2,1H3
InChIKeyWHRZKSLTTKFWFM-UHFFFAOYSA-N
MW330.35 g/mol
LogP2.73
Rot. Bonds5

About 1-[4-(methylamino)piperidin-1-yl]-3-[2-(trifluoromethoxy)phenyl]propan-1-one

1-[4-(methylamino)piperidin-1-yl]-3-[2-(trifluoromethoxy)phenyl]propan-1-one (PubChem CID 119562922) has the molecular formula C16H21F3N2O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is 1-[4-(methylamino)piperidin-1-yl]-3-[2-(trifluoromethoxy)phenyl]propan-1-one.

Molecular Properties

Compound Name1-[4-(methylamino)piperidin-1-yl]-3-[2-(trifluoromethoxy)phenyl]propan-1-one
PubChem CID119562922
Molecular FormulaC16H21F3N2O2
Molecular Weight330.35 g/mol
Exact Mass330.16
IUPAC Name1-[4-(methylamino)piperidin-1-yl]-3-[2-(trifluoromethoxy)phenyl]propan-1-one
SMILESCNC1CCN(C(=O)CCc2ccccc2OC(F)(F)F)CC1
InChIInChI=1S/C16H21F3N2O2/c1-20-13-8-10-21(11-9-13)15(22)7-6-12-4-2-3-5-14(12)23-16(17,18)19/h2-5,13,20H,6-11H2,1H3
InChIKeyWHRZKSLTTKFWFM-UHFFFAOYSA-N
XLogP2.73
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(methylaminomethyl)piperidin-1-yl]-3-[2-(trifluoromethoxy)phenyl]propan-1-one;hydrochloride
CID 119545847
1-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]-3-[2-(trifluoromethoxy)phenyl]propan-1-one
CID 124613138
1-[4-(3-aminopropoxy)piperidin-1-yl]-3-[2-(trifluoromethoxy)phenyl]propan-1-one;hydrochloride
CID 119663869
3-(2,3-difluorophenyl)-1-[4-(methylamino)piperidin-1-yl]propan-1-one
CID 119560045
methyl N-[1-[3-(2-methoxyphenyl)propanoyl]piperidin-4-yl]carbamate
CID 110822101
[(3R)-3-(methylamino)pyrrolidin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone
CID 172646299
1,5-bis[2-(trifluoromethoxy)phenyl]pentan-3-one
CID 174483817
3-(2-methoxyphenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119488395
N-piperidin-4-yl-3-[2-(trifluoromethoxy)phenyl]propanamide
CID 119389217
3-(2-ethoxyphenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119490352
N-[1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]-2-methylpropanamide
CID 110822692
2-(2-fluorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119260723

Frequently Asked Questions

What is the IUPAC name of 1-[4-(methylamino)piperidin-1-yl]-3-[2-(trifluoromethoxy)phenyl]propan-1-one?
The IUPAC name of 1-[4-(methylamino)piperidin-1-yl]-3-[2-(trifluoromethoxy)phenyl]propan-1-one (CID 119562922) is 1-[4-(methylamino)piperidin-1-yl]-3-[2-(trifluoromethoxy)phenyl]propan-1-one.
What is the SMILES notation for 1-[4-(methylamino)piperidin-1-yl]-3-[2-(trifluoromethoxy)phenyl]propan-1-one?
The canonical SMILES for 1-[4-(methylamino)piperidin-1-yl]-3-[2-(trifluoromethoxy)phenyl]propan-1-one is CNC1CCN(C(=O)CCc2ccccc2OC(F)(F)F)CC1.
What is the InChIKey of 1-[4-(methylamino)piperidin-1-yl]-3-[2-(trifluoromethoxy)phenyl]propan-1-one?
The InChIKey is WHRZKSLTTKFWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O2/c1-20-13-8-10-21(11-9-13)15(22)7-6-12-4-2-3-5-14(12)23-16(17,18)19/h2-5,13,20H,6-11H2,1H3.
What are the key properties of 1-[4-(methylamino)piperidin-1-yl]-3-[2-(trifluoromethoxy)phenyl]propan-1-one?
1-[4-(methylamino)piperidin-1-yl]-3-[2-(trifluoromethoxy)phenyl]propan-1-one has a molecular weight of 330.35 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methylamino)piperidin-1-yl]-3-[2-(trifluoromethoxy)phenyl]propan-1-one is sourced from PubChem (CID 119562922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).