1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(3,4-difluorophenoxy)propan-1-one

C16H22F2N2O2 — CID 120818307

IUPAC1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(3,4-difluorophenoxy)propan-1-one
SMILESCC(Oc1ccc(F)c(F)c1)C(=O)N1CCC(N)C(C)(C)C1
InChIInChI=1S/C16H22F2N2O2/c1-10(22-11-4-5-12(17)13(18)8-11)15(21)20-7-6-14(19)16(2,3)9-20/h4-5,8,10,14H,6-7,9,19H2,1-3H3
InChIKeyAITZVYWFQSGCAN-UHFFFAOYSA-N
MW312.36 g/mol
LogP2.32
Rot. Bonds3

About 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(3,4-difluorophenoxy)propan-1-one

1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(3,4-difluorophenoxy)propan-1-one (PubChem CID 120818307) has the molecular formula C16H22F2N2O2 and a molecular weight of 312.36 g/mol. Its IUPAC name is 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(3,4-difluorophenoxy)propan-1-one.

Molecular Properties

Compound Name1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(3,4-difluorophenoxy)propan-1-one
PubChem CID120818307
Molecular FormulaC16H22F2N2O2
Molecular Weight312.36 g/mol
Exact Mass312.16
IUPAC Name1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(3,4-difluorophenoxy)propan-1-one
SMILESCC(Oc1ccc(F)c(F)c1)C(=O)N1CCC(N)C(C)(C)C1
InChIInChI=1S/C16H22F2N2O2/c1-10(22-11-4-5-12(17)13(18)8-11)15(21)20-7-6-14(19)16(2,3)9-20/h4-5,8,10,14H,6-7,9,19H2,1-3H3
InChIKeyAITZVYWFQSGCAN-UHFFFAOYSA-N
XLogP2.32
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(3,4-difluorophenoxy)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(3,4-difluorophenoxy)-2-phenylethanone
CID 120817416
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(3,4-dichlorophenoxy)propan-1-one;hydrochloride
CID 120818509
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3,4-difluorophenoxy)propan-1-one
CID 119517559
2-(3-acetylphenoxy)-1-(4-amino-3,3-dimethylpiperidin-1-yl)propan-1-one;hydrochloride
CID 120817481
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3,4-difluorophenoxy)propan-1-one;hydrochloride
CID 119517558
2-(3,4-difluorophenoxy)-1-piperidin-1-ylpropan-1-one
CID 112788400
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(4-chloro-2-nitrophenoxy)propan-1-one
CID 120819985
N-[[1-[2-(3,4-difluorophenoxy)propanoyl]piperidin-4-yl]methyl]acetamide
CID 51096292
(4-amino-3,3-dimethylpiperidin-1-yl)-(3,4-difluorophenyl)methanone;hydrochloride
CID 120814455
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2-chloro-5-methylphenoxy)propan-1-one;hydrochloride
CID 120815937
2-(3,4-difluorophenoxy)-1-morpholin-4-ylpropan-1-one
CID 78767959
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(3,4-difluorophenyl)sulfanyl-2-phenylethanone
CID 120819947

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(3,4-difluorophenoxy)propan-1-one?
The IUPAC name of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(3,4-difluorophenoxy)propan-1-one (CID 120818307) is 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(3,4-difluorophenoxy)propan-1-one.
What is the SMILES notation for 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(3,4-difluorophenoxy)propan-1-one?
The canonical SMILES for 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(3,4-difluorophenoxy)propan-1-one is CC(Oc1ccc(F)c(F)c1)C(=O)N1CCC(N)C(C)(C)C1.
What is the InChIKey of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(3,4-difluorophenoxy)propan-1-one?
The InChIKey is AITZVYWFQSGCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O2/c1-10(22-11-4-5-12(17)13(18)8-11)15(21)20-7-6-14(19)16(2,3)9-20/h4-5,8,10,14H,6-7,9,19H2,1-3H3.
What are the key properties of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(3,4-difluorophenoxy)propan-1-one?
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(3,4-difluorophenoxy)propan-1-one has a molecular weight of 312.36 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(3,4-difluorophenoxy)propan-1-one is sourced from PubChem (CID 120818307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).