1-(4-aminopiperidin-1-yl)-3-(3,4-difluorophenoxy)propan-2-ol

C14H20F2N2O2 — CID 19369456

IUPAC1-(4-aminopiperidin-1-yl)-3-(3,4-difluorophenoxy)propan-2-ol
SMILESNC1CCN(CC(O)COc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C14H20F2N2O2/c15-13-2-1-12(7-14(13)16)20-9-11(19)8-18-5-3-10(17)4-6-18/h1-2,7,10-11,19H,3-6,8-9,17H2
InChIKeyCGPRCMFSIKVGSR-UHFFFAOYSA-N
MW286.32 g/mol
LogP1.13
Rot. Bonds5

About 1-(4-aminopiperidin-1-yl)-3-(3,4-difluorophenoxy)propan-2-ol

1-(4-aminopiperidin-1-yl)-3-(3,4-difluorophenoxy)propan-2-ol (PubChem CID 19369456) has the molecular formula C14H20F2N2O2 and a molecular weight of 286.32 g/mol. Its IUPAC name is 1-(4-aminopiperidin-1-yl)-3-(3,4-difluorophenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(4-aminopiperidin-1-yl)-3-(3,4-difluorophenoxy)propan-2-ol
PubChem CID19369456
Molecular FormulaC14H20F2N2O2
Molecular Weight286.32 g/mol
Exact Mass286.15
IUPAC Name1-(4-aminopiperidin-1-yl)-3-(3,4-difluorophenoxy)propan-2-ol
SMILESNC1CCN(CC(O)COc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C14H20F2N2O2/c15-13-2-1-12(7-14(13)16)20-9-11(19)8-18-5-3-10(17)4-6-18/h1-2,7,10-11,19H,3-6,8-9,17H2
InChIKeyCGPRCMFSIKVGSR-UHFFFAOYSA-N
XLogP1.13
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopiperidin-1-yl)-3-(3,4-difluorophenoxy)propan-2-ol?
The IUPAC name of 1-(4-aminopiperidin-1-yl)-3-(3,4-difluorophenoxy)propan-2-ol (CID 19369456) is 1-(4-aminopiperidin-1-yl)-3-(3,4-difluorophenoxy)propan-2-ol.
What is the SMILES notation for 1-(4-aminopiperidin-1-yl)-3-(3,4-difluorophenoxy)propan-2-ol?
The canonical SMILES for 1-(4-aminopiperidin-1-yl)-3-(3,4-difluorophenoxy)propan-2-ol is NC1CCN(CC(O)COc2ccc(F)c(F)c2)CC1.
What is the InChIKey of 1-(4-aminopiperidin-1-yl)-3-(3,4-difluorophenoxy)propan-2-ol?
The InChIKey is CGPRCMFSIKVGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O2/c15-13-2-1-12(7-14(13)16)20-9-11(19)8-18-5-3-10(17)4-6-18/h1-2,7,10-11,19H,3-6,8-9,17H2.
What are the key properties of 1-(4-aminopiperidin-1-yl)-3-(3,4-difluorophenoxy)propan-2-ol?
1-(4-aminopiperidin-1-yl)-3-(3,4-difluorophenoxy)propan-2-ol has a molecular weight of 286.32 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopiperidin-1-yl)-3-(3,4-difluorophenoxy)propan-2-ol is sourced from PubChem (CID 19369456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).