methyl 3-[5-(2,2-difluoroethylamino)-1-propylpiperidin-3-yl]propanoate

C14H26F2N2O2 — CID 83992834

IUPACmethyl 3-[5-(2,2-difluoroethylamino)-1-propylpiperidin-3-yl]propanoate
SMILESCCCN1CC(CCC(=O)OC)CC(NCC(F)F)C1
InChIInChI=1S/C14H26F2N2O2/c1-3-6-18-9-11(4-5-14(19)20-2)7-12(10-18)17-8-13(15)16/h11-13,17H,3-10H2,1-2H3
InChIKeyJZWBAOOZOWFQCA-UHFFFAOYSA-N
MW292.37 g/mol
LogP1.89
Rot. Bonds8

About methyl 3-[5-(2,2-difluoroethylamino)-1-propylpiperidin-3-yl]propanoate

methyl 3-[5-(2,2-difluoroethylamino)-1-propylpiperidin-3-yl]propanoate (PubChem CID 83992834) has the molecular formula C14H26F2N2O2 and a molecular weight of 292.37 g/mol. Its IUPAC name is methyl 3-[5-(2,2-difluoroethylamino)-1-propylpiperidin-3-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[5-(2,2-difluoroethylamino)-1-propylpiperidin-3-yl]propanoate
PubChem CID83992834
Molecular FormulaC14H26F2N2O2
Molecular Weight292.37 g/mol
Exact Mass292.20
IUPAC Namemethyl 3-[5-(2,2-difluoroethylamino)-1-propylpiperidin-3-yl]propanoate
SMILESCCCN1CC(CCC(=O)OC)CC(NCC(F)F)C1
InChIInChI=1S/C14H26F2N2O2/c1-3-6-18-9-11(4-5-14(19)20-2)7-12(10-18)17-8-13(15)16/h11-13,17H,3-10H2,1-2H3
InChIKeyJZWBAOOZOWFQCA-UHFFFAOYSA-N
XLogP1.89
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[5-(ethylamino)-1-propylpiperidin-3-yl]propanoate
CID 83990231
methyl 3-[1-(cyanomethyl)-5-(2,2-difluoroethylamino)piperidin-3-yl]propanoate
CID 83993354
5-butyl-N-(2,2-difluoroethyl)-1-propylpiperidin-3-amine
CID 83992822
methyl 5-(2,2-difluoroethylamino)-1-propylpiperidine-3-carboxylate
CID 83992828
methyl 3-[5-(ethoxycarbonylamino)-1-propylpiperidin-3-yl]propanoate
CID 112543702
2-[3-(2,2-difluoroethylamino)-5-propylpiperidin-1-yl]acetamide
CID 83993367
3-[1-butyl-5-(2,2-difluoroethylamino)piperidin-3-yl]propan-1-ol
CID 83992872
methyl 3-butyl-5-(2,2-difluoroethylamino)piperidine-1-carboxylate
CID 83992924
methyl 3-[1-ethyl-5-(3-methylbutylamino)piperidin-3-yl]propanoate
CID 83995572
3-[5-(methoxycarbonylamino)-1-propylpiperidin-3-yl]propanoic acid
CID 112543061
methyl 3-[1-acetyl-5-(ethylamino)piperidin-3-yl]propanoate
CID 83990367
3-[5-(cyclopentylmethylamino)-1-propylpiperidin-3-yl]propanoic acid
CID 83997675

Frequently Asked Questions

What is the IUPAC name of methyl 3-[5-(2,2-difluoroethylamino)-1-propylpiperidin-3-yl]propanoate?
The IUPAC name of methyl 3-[5-(2,2-difluoroethylamino)-1-propylpiperidin-3-yl]propanoate (CID 83992834) is methyl 3-[5-(2,2-difluoroethylamino)-1-propylpiperidin-3-yl]propanoate.
What is the SMILES notation for methyl 3-[5-(2,2-difluoroethylamino)-1-propylpiperidin-3-yl]propanoate?
The canonical SMILES for methyl 3-[5-(2,2-difluoroethylamino)-1-propylpiperidin-3-yl]propanoate is CCCN1CC(CCC(=O)OC)CC(NCC(F)F)C1.
What is the InChIKey of methyl 3-[5-(2,2-difluoroethylamino)-1-propylpiperidin-3-yl]propanoate?
The InChIKey is JZWBAOOZOWFQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F2N2O2/c1-3-6-18-9-11(4-5-14(19)20-2)7-12(10-18)17-8-13(15)16/h11-13,17H,3-10H2,1-2H3.
What are the key properties of methyl 3-[5-(2,2-difluoroethylamino)-1-propylpiperidin-3-yl]propanoate?
methyl 3-[5-(2,2-difluoroethylamino)-1-propylpiperidin-3-yl]propanoate has a molecular weight of 292.37 g/mol, XLogP of 1.89, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[5-(2,2-difluoroethylamino)-1-propylpiperidin-3-yl]propanoate is sourced from PubChem (CID 83992834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).