3-[3-Fluoro-4-(methylamino)piperidin-1-yl]propane-1,2-diol

C9H19FN2O2 — CID 169631878

IUPAC3-[3-fluoro-4-(methylamino)piperidin-1-yl]propane-1,2-diol
SMILESCNC1CCN(CC1F)CC(CO)O
InChIInChI=1S/C9H19FN2O2/c1-11-9-2-3-12(5-8(9)10)4-7(14)6-13/h7-9,11,13-14H,2-6H2,1H3
InChIKeyRZFLGTWIKBCJSS-UHFFFAOYSA-N
MW206.26 g/mol
LogP-0.90
Rot. Bonds4

About 3-[3-Fluoro-4-(methylamino)piperidin-1-yl]propane-1,2-diol

3-[3-Fluoro-4-(methylamino)piperidin-1-yl]propane-1,2-diol (PubChem CID 169631878) has the molecular formula C9H19FN2O2 and a molecular weight of 206.26 g/mol. Its IUPAC name is 3-[3-fluoro-4-(methylamino)piperidin-1-yl]propane-1,2-diol.

Molecular Properties

Compound Name3-[3-Fluoro-4-(methylamino)piperidin-1-yl]propane-1,2-diol
PubChem CID169631878
Molecular FormulaC9H19FN2O2
Molecular Weight206.26 g/mol
Exact Mass206.14
IUPAC Name3-[3-fluoro-4-(methylamino)piperidin-1-yl]propane-1,2-diol
SMILESCNC1CCN(CC1F)CC(CO)O
InChIInChI=1S/C9H19FN2O2/c1-11-9-2-3-12(5-8(9)10)4-7(14)6-13/h7-9,11,13-14H,2-6H2,1H3
InChIKeyRZFLGTWIKBCJSS-UHFFFAOYSA-N
XLogP-0.90
TPSA55.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity171

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.26
LogP ≤ 5-0.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1-Methylpiperidin-4-yl)amino]propan-1-ol
CID 43499738
1-[Methyl(piperidin-4-yl)amino]propan-2-ol
CID 60886866
(2R)-1-(4-aminopiperidin-1-yl)-3-methoxypropan-2-ol dihydrochloride
CID 165658664
(2S)-1-(4-aminopiperidin-1-yl)-3-methoxypropan-2-oldihydrochloride
CID 165658665
1-[[(4S)-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-fluoropentyl]amino]propan-1-ol
CID 71080624
1-(4-Amino-3-fluoropiperidin-1-yl)-3-methoxypropan-2-ol
CID 156712652
1-[3-Fluoro-4-(methylamino)piperidin-1-yl]-3-methoxypropan-2-ol
CID 169631876
1-[(3S,4R)-3-fluoro-4-(propan-2-ylamino)piperidin-1-yl]-3-methoxypropan-2-ol
CID 169632614
1-[(3R,4S)-3-fluoro-4-(propan-2-ylamino)piperidin-1-yl]-3-methoxypropan-2-ol
CID 169632617
1-[(3R,4S)-4-amino-3-fluoropiperidin-1-yl]-3-methoxypropan-2-ol
CID 169633733
1-[4-(Tert-butylamino)-3-fluoropiperidin-1-yl]-3-methoxypropan-2-ol
CID 172535606
3-[4-(Tert-butylamino)-3-fluoropiperidin-1-yl]propane-1,2-diol
CID 172536013

Frequently Asked Questions

What is the IUPAC name of 3-[3-Fluoro-4-(methylamino)piperidin-1-yl]propane-1,2-diol?
The IUPAC name of 3-[3-Fluoro-4-(methylamino)piperidin-1-yl]propane-1,2-diol (CID 169631878) is 3-[3-fluoro-4-(methylamino)piperidin-1-yl]propane-1,2-diol.
What is the SMILES notation for 3-[3-Fluoro-4-(methylamino)piperidin-1-yl]propane-1,2-diol?
The canonical SMILES for 3-[3-Fluoro-4-(methylamino)piperidin-1-yl]propane-1,2-diol is CNC1CCN(CC1F)CC(CO)O.
What is the InChIKey of 3-[3-Fluoro-4-(methylamino)piperidin-1-yl]propane-1,2-diol?
The InChIKey is RZFLGTWIKBCJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19FN2O2/c1-11-9-2-3-12(5-8(9)10)4-7(14)6-13/h7-9,11,13-14H,2-6H2,1H3.
What are the key properties of 3-[3-Fluoro-4-(methylamino)piperidin-1-yl]propane-1,2-diol?
3-[3-Fluoro-4-(methylamino)piperidin-1-yl]propane-1,2-diol has a molecular weight of 206.26 g/mol, XLogP of -0.90, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-Fluoro-4-(methylamino)piperidin-1-yl]propane-1,2-diol is sourced from PubChem (CID 169631878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).