1-[1-[2-(difluoromethoxy)phenyl]ethyl]-N,4-dimethylpiperidin-4-amine

C16H24F2N2O — CID 115304160

IUPAC1-[1-[2-(difluoromethoxy)phenyl]ethyl]-N,4-dimethylpiperidin-4-amine
SMILESCNC1(C)CCN(C(C)c2ccccc2OC(F)F)CC1
InChIInChI=1S/C16H24F2N2O/c1-12(20-10-8-16(2,19-3)9-11-20)13-6-4-5-7-14(13)21-15(17)18/h4-7,12,15,19H,8-11H2,1-3H3
InChIKeySATCLTMDRDNMLF-UHFFFAOYSA-N
MW298.38 g/mol
LogP3.42
Rot. Bonds5

About 1-[1-[2-(difluoromethoxy)phenyl]ethyl]-N,4-dimethylpiperidin-4-amine

1-[1-[2-(difluoromethoxy)phenyl]ethyl]-N,4-dimethylpiperidin-4-amine (PubChem CID 115304160) has the molecular formula C16H24F2N2O and a molecular weight of 298.38 g/mol. Its IUPAC name is 1-[1-[2-(difluoromethoxy)phenyl]ethyl]-N,4-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[1-[2-(difluoromethoxy)phenyl]ethyl]-N,4-dimethylpiperidin-4-amine
PubChem CID115304160
Molecular FormulaC16H24F2N2O
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name1-[1-[2-(difluoromethoxy)phenyl]ethyl]-N,4-dimethylpiperidin-4-amine
SMILESCNC1(C)CCN(C(C)c2ccccc2OC(F)F)CC1
InChIInChI=1S/C16H24F2N2O/c1-12(20-10-8-16(2,19-3)9-11-20)13-6-4-5-7-14(13)21-15(17)18/h4-7,12,15,19H,8-11H2,1-3H3
InChIKeySATCLTMDRDNMLF-UHFFFAOYSA-N
XLogP3.42
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2-methoxy-5-methylphenyl)ethyl]-N,4-dimethylpiperidin-4-amine
CID 115304050
1-[[2-(difluoromethoxy)phenyl]methyl]-N,4-dimethylpiperidin-4-amine
CID 115303878
N,4-dimethyl-1-(1-pyridin-2-ylethyl)piperidin-4-amine
CID 115304187
1-[1-[2-(difluoromethoxy)phenyl]ethyl]azetidine-3-carboxylic acid
CID 65072099
1-[1-[2-(difluoromethoxy)phenyl]ethyl]pyrrolidine-3-carboxylic acid
CID 65066569
[1-[1-[2-(difluoromethoxy)phenyl]ethyl]-4-methylpiperidin-3-yl]methanamine
CID 114959943
2-[1-[1-[2-(difluoromethoxy)phenyl]ethyl]azetidin-3-yl]acetic acid
CID 65069833
N-[1-[2-(difluoromethoxy)phenyl]ethyl]piperidin-1-amine
CID 83006799
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-3-methyl-1,1-dioxothiolan-3-amine
CID 43679916
2-[(1S)-1-[2-(difluoromethoxy)phenyl]ethyl]isoindole-1,3-dione
CID 118168964
[1-[[1-[2-(difluoromethoxy)phenyl]ethylamino]methyl]cyclopropyl]methanol
CID 81344008
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1-(trifluoromethyl)cyclopropan-1-amine
CID 106210355

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(difluoromethoxy)phenyl]ethyl]-N,4-dimethylpiperidin-4-amine?
The IUPAC name of 1-[1-[2-(difluoromethoxy)phenyl]ethyl]-N,4-dimethylpiperidin-4-amine (CID 115304160) is 1-[1-[2-(difluoromethoxy)phenyl]ethyl]-N,4-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[1-[2-(difluoromethoxy)phenyl]ethyl]-N,4-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[1-[2-(difluoromethoxy)phenyl]ethyl]-N,4-dimethylpiperidin-4-amine is CNC1(C)CCN(C(C)c2ccccc2OC(F)F)CC1.
What is the InChIKey of 1-[1-[2-(difluoromethoxy)phenyl]ethyl]-N,4-dimethylpiperidin-4-amine?
The InChIKey is SATCLTMDRDNMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2O/c1-12(20-10-8-16(2,19-3)9-11-20)13-6-4-5-7-14(13)21-15(17)18/h4-7,12,15,19H,8-11H2,1-3H3.
What are the key properties of 1-[1-[2-(difluoromethoxy)phenyl]ethyl]-N,4-dimethylpiperidin-4-amine?
1-[1-[2-(difluoromethoxy)phenyl]ethyl]-N,4-dimethylpiperidin-4-amine has a molecular weight of 298.38 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(difluoromethoxy)phenyl]ethyl]-N,4-dimethylpiperidin-4-amine is sourced from PubChem (CID 115304160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).