[1-(2-aminoethyl)-4-fluoropiperidin-4-yl]methanol

C8H17FN2O — CID 166075601

IUPAC[1-(2-aminoethyl)-4-fluoropiperidin-4-yl]methanol
SMILESNCCN1CCC(F)(CO)CC1
InChIInChI=1S/C8H17FN2O/c9-8(7-12)1-4-11(5-2-8)6-3-10/h12H,1-7,10H2
InChIKeyQMGGSCIQEDMAJF-UHFFFAOYSA-N
MW176.23 g/mol
LogP-0.26
Rot. Bonds3

About [1-(2-aminoethyl)-4-fluoropiperidin-4-yl]methanol

[1-(2-aminoethyl)-4-fluoropiperidin-4-yl]methanol (PubChem CID 166075601) has the molecular formula C8H17FN2O and a molecular weight of 176.23 g/mol. Its IUPAC name is [1-(2-aminoethyl)-4-fluoropiperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-(2-aminoethyl)-4-fluoropiperidin-4-yl]methanol
PubChem CID166075601
Molecular FormulaC8H17FN2O
Molecular Weight176.23 g/mol
Exact Mass176.13
IUPAC Name[1-(2-aminoethyl)-4-fluoropiperidin-4-yl]methanol
SMILESNCCN1CCC(F)(CO)CC1
InChIInChI=1S/C8H17FN2O/c9-8(7-12)1-4-11(5-2-8)6-3-10/h12H,1-7,10H2
InChIKeyQMGGSCIQEDMAJF-UHFFFAOYSA-N
XLogP-0.26
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.23
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-Aminoethyl)piperidin-4-yl]methanol dihydrochloride
CID 54592749
[3-(Dimethylamino)piperidin-4-YL]methanol
CID 86820533
[1-(2-Aminoethyl)piperidin-4-yl]methanol
CID 19104142
(4-Fluoropiperidin-4-YL)methanol
CID 55300414
Amino-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanol
CID 71048077
Amino-[1-(2-fluoroethyl)piperidin-4-yl]methanol
CID 89222934
(2-Fluoroethylamino)-piperidin-4-ylmethanol
CID 155259299
[1-[(4-Fluoropiperidin-4-yl)methyl]piperidin-4-yl]methanol
CID 172561995
[1-(3-Amino-1,1,1-trifluoropropan-2-yl)piperidin-4-yl]methanol
CID 43752693
[1-(4-Amino-1,1,1-trifluorobutan-2-yl)piperidin-4-yl]methanol
CID 43753111
[1-(3-Amino-1,1,1-trifluorobutan-2-yl)piperidin-4-yl]methanol
CID 61648235
[1-(3-Amino-1,1,1-trifluoropentan-2-yl)piperidin-4-yl]methanol
CID 61648236

Frequently Asked Questions

What is the IUPAC name of [1-(2-aminoethyl)-4-fluoropiperidin-4-yl]methanol?
The IUPAC name of [1-(2-aminoethyl)-4-fluoropiperidin-4-yl]methanol (CID 166075601) is [1-(2-aminoethyl)-4-fluoropiperidin-4-yl]methanol.
What is the SMILES notation for [1-(2-aminoethyl)-4-fluoropiperidin-4-yl]methanol?
The canonical SMILES for [1-(2-aminoethyl)-4-fluoropiperidin-4-yl]methanol is NCCN1CCC(F)(CO)CC1.
What is the InChIKey of [1-(2-aminoethyl)-4-fluoropiperidin-4-yl]methanol?
The InChIKey is QMGGSCIQEDMAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17FN2O/c9-8(7-12)1-4-11(5-2-8)6-3-10/h12H,1-7,10H2.
What are the key properties of [1-(2-aminoethyl)-4-fluoropiperidin-4-yl]methanol?
[1-(2-aminoethyl)-4-fluoropiperidin-4-yl]methanol has a molecular weight of 176.23 g/mol, XLogP of -0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-aminoethyl)-4-fluoropiperidin-4-yl]methanol is sourced from PubChem (CID 166075601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).