1-(3-fluoro-4-methylpiperidin-1-yl)propan-2-ol

C9H18FNO — CID 130675497

IUPAC1-(3-fluoro-4-methylpiperidin-1-yl)propan-2-ol
SMILESCC(O)CN1CCC(C)C(F)C1
InChIInChI=1S/C9H18FNO/c1-7-3-4-11(5-8(2)12)6-9(7)10/h7-9,12H,3-6H2,1-2H3
InChIKeyASGVZMLVALFRRB-UHFFFAOYSA-N
MW175.25 g/mol
LogP1.05
Rot. Bonds2

About 1-(3-fluoro-4-methylpiperidin-1-yl)propan-2-ol

1-(3-fluoro-4-methylpiperidin-1-yl)propan-2-ol (PubChem CID 130675497) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylpiperidin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(3-fluoro-4-methylpiperidin-1-yl)propan-2-ol
PubChem CID130675497
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name1-(3-fluoro-4-methylpiperidin-1-yl)propan-2-ol
SMILESCC(O)CN1CCC(C)C(F)C1
InChIInChI=1S/C9H18FNO/c1-7-3-4-11(5-8(2)12)6-9(7)10/h7-9,12H,3-6H2,1-2H3
InChIKeyASGVZMLVALFRRB-UHFFFAOYSA-N
XLogP1.05
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

alpha-Methyl-1-piperidineethanol
CID 233605
(2S)-1-(piperidin-1-yl)propan-2-ol
CID 735921
1-(1-Ethylpiperidin-4-yl)ethan-1-ol
CID 588327
(2R)-1-(piperidin-1-yl)propan-2-ol
CID 735922
1-(1-Methylpiperidin-4-yl)ethan-1-ol
CID 13266403
(1S)-1-(1,1-dimethylpiperidin-1-ium-4-yl)ethanol
CID 44368116
trans-1,4-Dimethylpiperidin-3-ol
CID 537403
1-Tert-butyl-4-methylpiperidin-3-ol
CID 5301330
1,1,1-Trifluoro-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 3416712
3,3-Dimethyl-1-piperidin-1-ylbutan-2-ol
CID 11435366
3-Methyl-1-piperidin-1-ylbutan-2-ol
CID 13159231
3-Piperidinol, 1,4-dimethyl-, trans-
CID 58697519

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylpiperidin-1-yl)propan-2-ol?
The IUPAC name of 1-(3-fluoro-4-methylpiperidin-1-yl)propan-2-ol (CID 130675497) is 1-(3-fluoro-4-methylpiperidin-1-yl)propan-2-ol.
What is the SMILES notation for 1-(3-fluoro-4-methylpiperidin-1-yl)propan-2-ol?
The canonical SMILES for 1-(3-fluoro-4-methylpiperidin-1-yl)propan-2-ol is CC(O)CN1CCC(C)C(F)C1.
What is the InChIKey of 1-(3-fluoro-4-methylpiperidin-1-yl)propan-2-ol?
The InChIKey is ASGVZMLVALFRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO/c1-7-3-4-11(5-8(2)12)6-9(7)10/h7-9,12H,3-6H2,1-2H3.
What are the key properties of 1-(3-fluoro-4-methylpiperidin-1-yl)propan-2-ol?
1-(3-fluoro-4-methylpiperidin-1-yl)propan-2-ol has a molecular weight of 175.25 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methylpiperidin-1-yl)propan-2-ol is sourced from PubChem (CID 130675497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).