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

C10H18F2N2O2 — CID 153362097

IUPACethyl 2,2-difluoro-3-(piperidin-4-ylamino)propanoate
SMILESCCOC(=O)C(F)(F)CNC1CCNCC1
InChIInChI=1S/C10H18F2N2O2/c1-2-16-9(15)10(11,12)7-14-8-3-5-13-6-4-8/h8,13-14H,2-7H2,1H3
InChIKeyLQXOBSDARSIPBO-UHFFFAOYSA-N
MW236.26 g/mol
LogP0.53
Rot. Bonds5

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

ethyl 2,2-difluoro-3-(piperidin-4-ylamino)propanoate (PubChem CID 153362097) has the molecular formula C10H18F2N2O2 and a molecular weight of 236.26 g/mol. Its IUPAC name is ethyl 2,2-difluoro-3-(piperidin-4-ylamino)propanoate.

Molecular Properties

Compound Nameethyl 2,2-difluoro-3-(piperidin-4-ylamino)propanoate
PubChem CID153362097
Molecular FormulaC10H18F2N2O2
Molecular Weight236.26 g/mol
Exact Mass236.13
IUPAC Nameethyl 2,2-difluoro-3-(piperidin-4-ylamino)propanoate
SMILESCCOC(=O)C(F)(F)CNC1CCNCC1
InChIInChI=1S/C10H18F2N2O2/c1-2-16-9(15)10(11,12)7-14-8-3-5-13-6-4-8/h8,13-14H,2-7H2,1H3
InChIKeyLQXOBSDARSIPBO-UHFFFAOYSA-N
XLogP0.53
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 2,2-dimethyl-3-[(piperidin-4-yl)amino]propanoate
CID 139022432
Methyl 3-(4-aminopiperidin-1-yl)propanoate
CID 18969347
Ethyl 3-(cyclopentylamino)-2,2-difluoropropanoate
CID 57634998
3-Cyclohexylamino-2,2-difluoropropionic acid ethyl ester
CID 57955544
Ethyl 3-[(4,4-difluorocyclohexyl)amino]propanoate
CID 68868826
Ethyl 2-fluoro-3-oxo-3-(piperidin-4-ylamino)propanoate
CID 86035299
Piperidin-4-yl 2,2-difluoropropanoate
CID 89393503
1-(3-Methoxypropyl)piperidin-1-ium;2,2,2-trifluoroacetate
CID 90956868
Ethyl 4,4,4-trifluoro-3-(oxan-4-ylamino)butanoate
CID 118454598
N-methyl-1-(oxan-4-yl)piperidin-4-amine;2,2,2-trifluoroacetic acid
CID 146455406
Tert-butyl 4-[(3-ethoxy-2,2-difluoro-3-oxopropyl)amino]piperidine-1-carboxylate
CID 153362094
Ethyl 2,2-difluoro-3-(piperidin-4-ylamino)propanoate;dihydrochloride
CID 153362096

Frequently Asked Questions

What is the IUPAC name of ethyl 2,2-difluoro-3-(piperidin-4-ylamino)propanoate?
The IUPAC name of ethyl 2,2-difluoro-3-(piperidin-4-ylamino)propanoate (CID 153362097) is ethyl 2,2-difluoro-3-(piperidin-4-ylamino)propanoate.
What is the SMILES notation for ethyl 2,2-difluoro-3-(piperidin-4-ylamino)propanoate?
The canonical SMILES for ethyl 2,2-difluoro-3-(piperidin-4-ylamino)propanoate is CCOC(=O)C(F)(F)CNC1CCNCC1.
What is the InChIKey of ethyl 2,2-difluoro-3-(piperidin-4-ylamino)propanoate?
The InChIKey is LQXOBSDARSIPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2O2/c1-2-16-9(15)10(11,12)7-14-8-3-5-13-6-4-8/h8,13-14H,2-7H2,1H3.
What are the key properties of ethyl 2,2-difluoro-3-(piperidin-4-ylamino)propanoate?
ethyl 2,2-difluoro-3-(piperidin-4-ylamino)propanoate has a molecular weight of 236.26 g/mol, XLogP of 0.53, 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 is sourced from PubChem (CID 153362097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).