ethyl 2,2-difluoro-3-(piperidin-4-ylamino)propanoate;dihydrochloride

C10H20Cl2F2N2O2 — CID 153362096

IUPACethyl 2,2-difluoro-3-(piperidin-4-ylamino)propanoate;dihydrochloride
SMILESCCOC(=O)C(F)(F)CNC1CCNCC1.Cl.Cl
InChIInChI=1S/C10H18F2N2O2.2ClH/c1-2-16-9(15)10(11,12)7-14-8-3-5-13-6-4-8;;/h8,13-14H,2-7H2,1H3;2*1H
InChIKeyZRVLTQCYCVYEBZ-UHFFFAOYSA-N
MW309.18 g/mol
LogP1.37
Rot. Bonds5

About ethyl 2,2-difluoro-3-(piperidin-4-ylamino)propanoate;dihydrochloride

ethyl 2,2-difluoro-3-(piperidin-4-ylamino)propanoate;dihydrochloride (PubChem CID 153362096) has the molecular formula C10H20Cl2F2N2O2 and a molecular weight of 309.18 g/mol. Its IUPAC name is ethyl 2,2-difluoro-3-(piperidin-4-ylamino)propanoate;dihydrochloride.

Molecular Properties

Compound Nameethyl 2,2-difluoro-3-(piperidin-4-ylamino)propanoate;dihydrochloride
PubChem CID153362096
Molecular FormulaC10H20Cl2F2N2O2
Molecular Weight309.18 g/mol
Exact Mass308.09
IUPAC Nameethyl 2,2-difluoro-3-(piperidin-4-ylamino)propanoate;dihydrochloride
SMILESCCOC(=O)C(F)(F)CNC1CCNCC1.Cl.Cl
InChIInChI=1S/C10H18F2N2O2.2ClH/c1-2-16-9(15)10(11,12)7-14-8-3-5-13-6-4-8;;/h8,13-14H,2-7H2,1H3;2*1H
InChIKeyZRVLTQCYCVYEBZ-UHFFFAOYSA-N
XLogP1.37
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.18
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 3-(4-aminopiperidin-1-yl)propanoate dihydrochloride
CID 57436991
Ethyl 2,2-difluoro-3-(piperazin-1-yl)propanoate dihydrochloride
CID 165590937
3-Cyclohexylamino-2,2-difluoropropionic acid ethyl ester
CID 57955544
Ethyl 3-[(4,4-difluorocyclohexyl)amino]propanoate
CID 68868826
Ethyl 2,2-difluoro-3-(piperidin-4-ylamino)propanoate
CID 153362097
Methyl 3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propanoate
CID 43774757
Ethyl 3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propanoate
CID 61961756
Ethyl 4-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]butanoate
CID 64577955
Methyl 3-(4-aminopiperidin-1-yl)-4,4,4-trifluorobutanoate
CID 83825507
Methyl 3-[3-(2,2,2-trifluoroethylamino)piperidin-1-yl]propanoate
CID 83992606
Methyl 3-[3-(2,2-difluoroethylamino)piperidin-1-yl]propanoate
CID 83993300
Ethyl 3-(6,6,6-trifluorohexan-2-ylamino)propanoate
CID 116534719

Frequently Asked Questions

What is the IUPAC name of ethyl 2,2-difluoro-3-(piperidin-4-ylamino)propanoate;dihydrochloride?
The IUPAC name of ethyl 2,2-difluoro-3-(piperidin-4-ylamino)propanoate;dihydrochloride (CID 153362096) is ethyl 2,2-difluoro-3-(piperidin-4-ylamino)propanoate;dihydrochloride.
What is the SMILES notation for ethyl 2,2-difluoro-3-(piperidin-4-ylamino)propanoate;dihydrochloride?
The canonical SMILES for ethyl 2,2-difluoro-3-(piperidin-4-ylamino)propanoate;dihydrochloride is CCOC(=O)C(F)(F)CNC1CCNCC1.Cl.Cl.
What is the InChIKey of ethyl 2,2-difluoro-3-(piperidin-4-ylamino)propanoate;dihydrochloride?
The InChIKey is ZRVLTQCYCVYEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2O2.2ClH/c1-2-16-9(15)10(11,12)7-14-8-3-5-13-6-4-8;;/h8,13-14H,2-7H2,1H3;2*1H.
What are the key properties of ethyl 2,2-difluoro-3-(piperidin-4-ylamino)propanoate;dihydrochloride?
ethyl 2,2-difluoro-3-(piperidin-4-ylamino)propanoate;dihydrochloride has a molecular weight of 309.18 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,2-difluoro-3-(piperidin-4-ylamino)propanoate;dihydrochloride is sourced from PubChem (CID 153362096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).