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

C15H22F2N2O — CID 115303878

IUPAC1-[[2-(difluoromethoxy)phenyl]methyl]-N,4-dimethylpiperidin-4-amine
SMILESCNC1(C)CCN(Cc2ccccc2OC(F)F)CC1
InChIInChI=1S/C15H22F2N2O/c1-15(18-2)7-9-19(10-8-15)11-12-5-3-4-6-13(12)20-14(16)17/h3-6,14,18H,7-11H2,1-2H3
InChIKeyMAOQSQIGDDURCB-UHFFFAOYSA-N
MW284.35 g/mol
LogP2.86
Rot. Bonds5

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

1-[[2-(difluoromethoxy)phenyl]methyl]-N,4-dimethylpiperidin-4-amine (PubChem CID 115303878) has the molecular formula C15H22F2N2O and a molecular weight of 284.35 g/mol. Its IUPAC name is 1-[[2-(difluoromethoxy)phenyl]methyl]-N,4-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[[2-(difluoromethoxy)phenyl]methyl]-N,4-dimethylpiperidin-4-amine
PubChem CID115303878
Molecular FormulaC15H22F2N2O
Molecular Weight284.35 g/mol
Exact Mass284.17
IUPAC Name1-[[2-(difluoromethoxy)phenyl]methyl]-N,4-dimethylpiperidin-4-amine
SMILESCNC1(C)CCN(Cc2ccccc2OC(F)F)CC1
InChIInChI=1S/C15H22F2N2O/c1-15(18-2)7-9-19(10-8-15)11-12-5-3-4-6-13(12)20-14(16)17/h3-6,14,18H,7-11H2,1-2H3
InChIKeyMAOQSQIGDDURCB-UHFFFAOYSA-N
XLogP2.86
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[2-(difluoromethoxy)phenyl]ethyl]-N,4-dimethylpiperidin-4-amine
CID 115304160
N-[(4S,5R)-9-[[2-(difluoromethoxy)phenyl]methyl]-5-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide
CID 166622521
1-[(2-chloro-3-fluorophenyl)methyl]-N,4-dimethylpiperidin-4-amine
CID 112652864
9-[[2-(difluoromethoxy)phenyl]methyl]-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-ol;formic acid
CID 154916360
2-fluoro-3-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]benzonitrile
CID 107119035
[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]methanamine;hydrochloride
CID 119909783
1-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]-N-methylmethanamine
CID 61206348
2-[[2-(difluoromethoxy)phenyl]methyl]-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane
CID 45213726
9-(cyclopropylmethyl)-2-[[2-(difluoromethoxy)phenyl]methyl]-2,9-diazaspiro[4.5]decane
CID 45218460
methyl 1-[[2-(difluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxylate
CID 112730646
1-[1-[[2-(difluoromethoxy)phenyl]methyl]pyrrolidin-2-yl]-N-methylmethanamine;hydrochloride
CID 119928550
N-[[2-(difluoromethoxy)phenyl]methyl]piperidin-1-amine
CID 83007673

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(difluoromethoxy)phenyl]methyl]-N,4-dimethylpiperidin-4-amine?
The IUPAC name of 1-[[2-(difluoromethoxy)phenyl]methyl]-N,4-dimethylpiperidin-4-amine (CID 115303878) is 1-[[2-(difluoromethoxy)phenyl]methyl]-N,4-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[[2-(difluoromethoxy)phenyl]methyl]-N,4-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[[2-(difluoromethoxy)phenyl]methyl]-N,4-dimethylpiperidin-4-amine is CNC1(C)CCN(Cc2ccccc2OC(F)F)CC1.
What is the InChIKey of 1-[[2-(difluoromethoxy)phenyl]methyl]-N,4-dimethylpiperidin-4-amine?
The InChIKey is MAOQSQIGDDURCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2O/c1-15(18-2)7-9-19(10-8-15)11-12-5-3-4-6-13(12)20-14(16)17/h3-6,14,18H,7-11H2,1-2H3.
What are the key properties of 1-[[2-(difluoromethoxy)phenyl]methyl]-N,4-dimethylpiperidin-4-amine?
1-[[2-(difluoromethoxy)phenyl]methyl]-N,4-dimethylpiperidin-4-amine has a molecular weight of 284.35 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(difluoromethoxy)phenyl]methyl]-N,4-dimethylpiperidin-4-amine is sourced from PubChem (CID 115303878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).