[4-(difluoromethoxy)-3,5-dimethylphenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone

C17H24F2N2O2 — CID 119546431

IUPAC[4-(difluoromethoxy)-3,5-dimethylphenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCNCC1CCN(C(=O)c2cc(C)c(OC(F)F)c(C)c2)CC1
InChIInChI=1S/C17H24F2N2O2/c1-11-8-14(9-12(2)15(11)23-17(18)19)16(22)21-6-4-13(5-7-21)10-20-3/h8-9,13,17,20H,4-7,10H2,1-3H3
InChIKeyHSKXRMGOZFVSPV-UHFFFAOYSA-N
MW326.39 g/mol
LogP2.98
Rot. Bonds5

About [4-(difluoromethoxy)-3,5-dimethylphenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone

[4-(difluoromethoxy)-3,5-dimethylphenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone (PubChem CID 119546431) has the molecular formula C17H24F2N2O2 and a molecular weight of 326.39 g/mol. Its IUPAC name is [4-(difluoromethoxy)-3,5-dimethylphenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(difluoromethoxy)-3,5-dimethylphenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
PubChem CID119546431
Molecular FormulaC17H24F2N2O2
Molecular Weight326.39 g/mol
Exact Mass326.18
IUPAC Name[4-(difluoromethoxy)-3,5-dimethylphenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCNCC1CCN(C(=O)c2cc(C)c(OC(F)F)c(C)c2)CC1
InChIInChI=1S/C17H24F2N2O2/c1-11-8-14(9-12(2)15(11)23-17(18)19)16(22)21-6-4-13(5-7-21)10-20-3/h8-9,13,17,20H,4-7,10H2,1-3H3
InChIKeyHSKXRMGOZFVSPV-UHFFFAOYSA-N
XLogP2.98
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(difluoromethoxy)-3,5-dimethylphenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119546430
[4-(difluoromethoxy)phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63251080
[4-(methylaminomethyl)piperidin-1-yl]-(3,4,5-triethoxyphenyl)methanone;hydrochloride
CID 119543739
[4-(methylaminomethyl)piperidin-1-yl]-phenylmethanone
CID 22983162
[3-(difluoromethoxy)thiophen-2-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119547026
(4-bromo-3,5-dimethoxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119542621
[4-(methylaminomethyl)piperidin-1-yl]-(3-methylphenyl)methanone;hydrochloride
CID 119545466
[4-(difluoromethoxy)-3,5-dimethoxyphenyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119564114
2-[1-(4-methoxy-3,5-dimethylbenzoyl)piperidin-4-yl]acetic acid
CID 120684670
[4-(methylaminomethyl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 63248675
(3-fluoro-5-methylphenyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119538422
(4-iodophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119542556

Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethoxy)-3,5-dimethylphenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone?
The IUPAC name of [4-(difluoromethoxy)-3,5-dimethylphenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone (CID 119546431) is [4-(difluoromethoxy)-3,5-dimethylphenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [4-(difluoromethoxy)-3,5-dimethylphenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone?
The canonical SMILES for [4-(difluoromethoxy)-3,5-dimethylphenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone is CNCC1CCN(C(=O)c2cc(C)c(OC(F)F)c(C)c2)CC1.
What is the InChIKey of [4-(difluoromethoxy)-3,5-dimethylphenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone?
The InChIKey is HSKXRMGOZFVSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2N2O2/c1-11-8-14(9-12(2)15(11)23-17(18)19)16(22)21-6-4-13(5-7-21)10-20-3/h8-9,13,17,20H,4-7,10H2,1-3H3.
What are the key properties of [4-(difluoromethoxy)-3,5-dimethylphenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone?
[4-(difluoromethoxy)-3,5-dimethylphenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone has a molecular weight of 326.39 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethoxy)-3,5-dimethylphenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 119546431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).