1-(4-amino-3-fluoropiperidin-1-yl)-3-methoxypropan-2-ol

C9H19FN2O2 — CID 156712652

IUPAC1-(4-amino-3-fluoropiperidin-1-yl)-3-methoxypropan-2-ol
SMILESCOCC(O)CN1CCC(N)C(F)C1
InChIInChI=1S/C9H19FN2O2/c1-14-6-7(13)4-12-3-2-9(11)8(10)5-12/h7-9,13H,2-6,11H2,1H3
InChIKeyDMACLPKUOIXEEZ-UHFFFAOYSA-N
MW206.26 g/mol
LogP-0.64
Rot. Bonds4

About 1-(4-amino-3-fluoropiperidin-1-yl)-3-methoxypropan-2-ol

1-(4-amino-3-fluoropiperidin-1-yl)-3-methoxypropan-2-ol (PubChem CID 156712652) has the molecular formula C9H19FN2O2 and a molecular weight of 206.26 g/mol. Its IUPAC name is 1-(4-amino-3-fluoropiperidin-1-yl)-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-(4-amino-3-fluoropiperidin-1-yl)-3-methoxypropan-2-ol
PubChem CID156712652
Molecular FormulaC9H19FN2O2
Molecular Weight206.26 g/mol
Exact Mass206.14
IUPAC Name1-(4-amino-3-fluoropiperidin-1-yl)-3-methoxypropan-2-ol
SMILESCOCC(O)CN1CCC(N)C(F)C1
InChIInChI=1S/C9H19FN2O2/c1-14-6-7(13)4-12-3-2-9(11)8(10)5-12/h7-9,13H,2-6,11H2,1H3
InChIKeyDMACLPKUOIXEEZ-UHFFFAOYSA-N
XLogP-0.64
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.26
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-fluoropiperidin-1-yl)-3-methoxypropan-2-ol?
The IUPAC name of 1-(4-amino-3-fluoropiperidin-1-yl)-3-methoxypropan-2-ol (CID 156712652) is 1-(4-amino-3-fluoropiperidin-1-yl)-3-methoxypropan-2-ol.
What is the SMILES notation for 1-(4-amino-3-fluoropiperidin-1-yl)-3-methoxypropan-2-ol?
The canonical SMILES for 1-(4-amino-3-fluoropiperidin-1-yl)-3-methoxypropan-2-ol is COCC(O)CN1CCC(N)C(F)C1.
What is the InChIKey of 1-(4-amino-3-fluoropiperidin-1-yl)-3-methoxypropan-2-ol?
The InChIKey is DMACLPKUOIXEEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19FN2O2/c1-14-6-7(13)4-12-3-2-9(11)8(10)5-12/h7-9,13H,2-6,11H2,1H3.
What are the key properties of 1-(4-amino-3-fluoropiperidin-1-yl)-3-methoxypropan-2-ol?
1-(4-amino-3-fluoropiperidin-1-yl)-3-methoxypropan-2-ol has a molecular weight of 206.26 g/mol, XLogP of -0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-fluoropiperidin-1-yl)-3-methoxypropan-2-ol is sourced from PubChem (CID 156712652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).