[2-(1-aminoethyl)piperidin-1-yl]-[4-(difluoromethoxy)-3,5-dimethylphenyl]methanone

C17H24F2N2O2 — CID 119437301

IUPAC[2-(1-aminoethyl)piperidin-1-yl]-[4-(difluoromethoxy)-3,5-dimethylphenyl]methanone
SMILESCc1cc(C(=O)N2CCCCC2C(C)N)cc(C)c1OC(F)F
InChIInChI=1S/C17H24F2N2O2/c1-10-8-13(9-11(2)15(10)23-17(18)19)16(22)21-7-5-4-6-14(21)12(3)20/h8-9,12,14,17H,4-7,20H2,1-3H3
InChIKeyJZFLNAPXMYAMKX-UHFFFAOYSA-N
MW326.39 g/mol
LogP3.25
Rot. Bonds4

About [2-(1-aminoethyl)piperidin-1-yl]-[4-(difluoromethoxy)-3,5-dimethylphenyl]methanone

[2-(1-aminoethyl)piperidin-1-yl]-[4-(difluoromethoxy)-3,5-dimethylphenyl]methanone (PubChem CID 119437301) has the molecular formula C17H24F2N2O2 and a molecular weight of 326.39 g/mol. Its IUPAC name is [2-(1-aminoethyl)piperidin-1-yl]-[4-(difluoromethoxy)-3,5-dimethylphenyl]methanone.

Molecular Properties

Compound Name[2-(1-aminoethyl)piperidin-1-yl]-[4-(difluoromethoxy)-3,5-dimethylphenyl]methanone
PubChem CID119437301
Molecular FormulaC17H24F2N2O2
Molecular Weight326.39 g/mol
Exact Mass326.18
IUPAC Name[2-(1-aminoethyl)piperidin-1-yl]-[4-(difluoromethoxy)-3,5-dimethylphenyl]methanone
SMILESCc1cc(C(=O)N2CCCCC2C(C)N)cc(C)c1OC(F)F
InChIInChI=1S/C17H24F2N2O2/c1-10-8-13(9-11(2)15(10)23-17(18)19)16(22)21-7-5-4-6-14(21)12(3)20/h8-9,12,14,17H,4-7,20H2,1-3H3
InChIKeyJZFLNAPXMYAMKX-UHFFFAOYSA-N
XLogP3.25
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(aminomethyl)piperidin-1-yl]-[4-(difluoromethoxy)-3,5-dimethylphenyl]methanone
CID 119469301
[2-(1-aminoethyl)piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 119435295
[2-(1-aminoethyl)piperidin-1-yl]-[3-(difluoromethoxy)-4-methoxyphenyl]methanone;hydrochloride
CID 119435560
[(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-(3,5-dichloro-4-methoxyphenyl)methanone
CID 124685615
[2-(1-aminoethyl)piperidin-1-yl]-(3,4,5-triethoxyphenyl)methanone
CID 119435293
[2-(1-aminoethyl)piperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone
CID 63255158
[(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-(5-methyl-3-pyridinyl)methanone
CID 124513794
[(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-(4-methyl-3-methylsulfonylphenyl)methanone
CID 124569318
[(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-(4-methyl-3-methylsulfonylphenyl)methanone
CID 124569319
[2-(1-aminoethyl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone;hydrochloride
CID 119436639
[2-(1-aminoethyl)piperidin-1-yl]-(2,4-dimethylphenyl)methanone;hydrochloride
CID 119436172
4-[2-(1-aminoethyl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 103805470

Frequently Asked Questions

What is the IUPAC name of [2-(1-aminoethyl)piperidin-1-yl]-[4-(difluoromethoxy)-3,5-dimethylphenyl]methanone?
The IUPAC name of [2-(1-aminoethyl)piperidin-1-yl]-[4-(difluoromethoxy)-3,5-dimethylphenyl]methanone (CID 119437301) is [2-(1-aminoethyl)piperidin-1-yl]-[4-(difluoromethoxy)-3,5-dimethylphenyl]methanone.
What is the SMILES notation for [2-(1-aminoethyl)piperidin-1-yl]-[4-(difluoromethoxy)-3,5-dimethylphenyl]methanone?
The canonical SMILES for [2-(1-aminoethyl)piperidin-1-yl]-[4-(difluoromethoxy)-3,5-dimethylphenyl]methanone is Cc1cc(C(=O)N2CCCCC2C(C)N)cc(C)c1OC(F)F.
What is the InChIKey of [2-(1-aminoethyl)piperidin-1-yl]-[4-(difluoromethoxy)-3,5-dimethylphenyl]methanone?
The InChIKey is JZFLNAPXMYAMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2N2O2/c1-10-8-13(9-11(2)15(10)23-17(18)19)16(22)21-7-5-4-6-14(21)12(3)20/h8-9,12,14,17H,4-7,20H2,1-3H3.
What are the key properties of [2-(1-aminoethyl)piperidin-1-yl]-[4-(difluoromethoxy)-3,5-dimethylphenyl]methanone?
[2-(1-aminoethyl)piperidin-1-yl]-[4-(difluoromethoxy)-3,5-dimethylphenyl]methanone has a molecular weight of 326.39 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-aminoethyl)piperidin-1-yl]-[4-(difluoromethoxy)-3,5-dimethylphenyl]methanone is sourced from PubChem (CID 119437301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).