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

C15H20F2N2O2 — CID 63251080

IUPAC[4-(difluoromethoxy)phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCNCC1CCN(C(=O)c2ccc(OC(F)F)cc2)CC1
InChIInChI=1S/C15H20F2N2O2/c1-18-10-11-6-8-19(9-7-11)14(20)12-2-4-13(5-3-12)21-15(16)17/h2-5,11,15,18H,6-10H2,1H3
InChIKeyWJKZPTJSFQMWIZ-UHFFFAOYSA-N
MW298.33 g/mol
LogP2.36
Rot. Bonds5

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

[4-(difluoromethoxy)phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone (PubChem CID 63251080) has the molecular formula C15H20F2N2O2 and a molecular weight of 298.33 g/mol. Its IUPAC name is [4-(difluoromethoxy)phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(difluoromethoxy)phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
PubChem CID63251080
Molecular FormulaC15H20F2N2O2
Molecular Weight298.33 g/mol
Exact Mass298.15
IUPAC Name[4-(difluoromethoxy)phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCNCC1CCN(C(=O)c2ccc(OC(F)F)cc2)CC1
InChIInChI=1S/C15H20F2N2O2/c1-18-10-11-6-8-19(9-7-11)14(20)12-2-4-13(5-3-12)21-15(16)17/h2-5,11,15,18H,6-10H2,1H3
InChIKeyWJKZPTJSFQMWIZ-UHFFFAOYSA-N
XLogP2.36
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(difluoromethoxy)phenyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119559882
[4-(chloromethyl)piperidin-1-yl]-[4-(difluoromethoxy)phenyl]methanone
CID 63397857
(4-chloropiperidin-1-yl)-[4-(difluoromethoxy)phenyl]methanone
CID 63390547
[4-(methylaminomethyl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 119545556
[4-(difluoromethoxy)phenyl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 81484657
3-[4-(difluoromethoxy)phenyl]-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one
CID 119545666
[4-(difluoromethoxy)-3,5-dimethylphenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119546431
[4-(methylaminomethyl)piperidin-1-yl]-phenylmethanone
CID 22983162
[4-(difluoromethoxy)-3,5-dimethylphenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119546430
[4-(methylaminomethyl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 63248675
(4-iodophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119542556
(4-butoxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119543778

Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethoxy)phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone?
The IUPAC name of [4-(difluoromethoxy)phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone (CID 63251080) is [4-(difluoromethoxy)phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [4-(difluoromethoxy)phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone?
The canonical SMILES for [4-(difluoromethoxy)phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone is CNCC1CCN(C(=O)c2ccc(OC(F)F)cc2)CC1.
What is the InChIKey of [4-(difluoromethoxy)phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone?
The InChIKey is WJKZPTJSFQMWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O2/c1-18-10-11-6-8-19(9-7-11)14(20)12-2-4-13(5-3-12)21-15(16)17/h2-5,11,15,18H,6-10H2,1H3.
What are the key properties of [4-(difluoromethoxy)phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone?
[4-(difluoromethoxy)phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone has a molecular weight of 298.33 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethoxy)phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 63251080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).