ethane;4-fluoro-1-methylpiperidin-3-ol;2-(1-methylpiperidin-2-yl)ethanol

C18H41FN2O2 — CID 166141777

IUPACethane;4-fluoro-1-methylpiperidin-3-ol;2-(1-methylpiperidin-2-yl)ethanol
SMILESCC.CC.CN1CCC(F)C(O)C1.CN1CCCCC1CCO
InChIInChI=1S/C8H17NO.C6H12FNO.2C2H6/c1-9-6-3-2-4-8(9)5-7-10;1-8-3-2-5(7)6(9)4-8;2*1-2/h8,10H,2-7H2,1H3;5-6,9H,2-4H2,1H3;2*1-2H3
InChIKeyICDJVZZXQZTFKL-UHFFFAOYSA-N
MW336.54 g/mol
LogP2.93
Rot. Bonds2

About ethane;4-fluoro-1-methylpiperidin-3-ol;2-(1-methylpiperidin-2-yl)ethanol

ethane;4-fluoro-1-methylpiperidin-3-ol;2-(1-methylpiperidin-2-yl)ethanol (PubChem CID 166141777) has the molecular formula C18H41FN2O2 and a molecular weight of 336.54 g/mol. Its IUPAC name is ethane;4-fluoro-1-methylpiperidin-3-ol;2-(1-methylpiperidin-2-yl)ethanol.

Molecular Properties

Compound Nameethane;4-fluoro-1-methylpiperidin-3-ol;2-(1-methylpiperidin-2-yl)ethanol
PubChem CID166141777
Molecular FormulaC18H41FN2O2
Molecular Weight336.54 g/mol
Exact Mass336.32
IUPAC Nameethane;4-fluoro-1-methylpiperidin-3-ol;2-(1-methylpiperidin-2-yl)ethanol
SMILESCC.CC.CN1CCC(F)C(O)C1.CN1CCCCC1CCO
InChIInChI=1S/C8H17NO.C6H12FNO.2C2H6/c1-9-6-3-2-4-8(9)5-7-10;1-8-3-2-5(7)6(9)4-8;2*1-2/h8,10H,2-7H2,1H3;5-6,9H,2-4H2,1H3;2*1-2H3
InChIKeyICDJVZZXQZTFKL-UHFFFAOYSA-N
XLogP2.93
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.54
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-methylpiperidin-2-yl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
CID 55067022
1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrolidin-3-ol
CID 62917003
ethane;5-fluoro-1-methylazepan-4-ol
CID 166157376
3-(1-methylpyrrolidin-2-yl)propan-1-ol tetrafluoroborate
CID 174876425
1-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-3-ol
CID 60689916
11-[(2R)-1-methylpyrrolidin-2-yl]undecan-1-ol
CID 11777143
2-[1-[2-(hydroxymethyl)piperidin-1-yl]piperidin-2-yl]ethanol
CID 57022132
2-[(2S)-1-ethylpiperidin-2-yl]ethanol
CID 26365884
1-methyl-2-[(1-methylpiperidin-2-yl)methyl]piperidine
CID 54394556
(2R)-2-ethyl-1-methylpiperidine
CID 67552955
[4-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]piperazin-2-yl]methanamine
CID 80505748
1-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-4-amine
CID 60694644

Frequently Asked Questions

What is the IUPAC name of ethane;4-fluoro-1-methylpiperidin-3-ol;2-(1-methylpiperidin-2-yl)ethanol?
The IUPAC name of ethane;4-fluoro-1-methylpiperidin-3-ol;2-(1-methylpiperidin-2-yl)ethanol (CID 166141777) is ethane;4-fluoro-1-methylpiperidin-3-ol;2-(1-methylpiperidin-2-yl)ethanol.
What is the SMILES notation for ethane;4-fluoro-1-methylpiperidin-3-ol;2-(1-methylpiperidin-2-yl)ethanol?
The canonical SMILES for ethane;4-fluoro-1-methylpiperidin-3-ol;2-(1-methylpiperidin-2-yl)ethanol is CC.CC.CN1CCC(F)C(O)C1.CN1CCCCC1CCO.
What is the InChIKey of ethane;4-fluoro-1-methylpiperidin-3-ol;2-(1-methylpiperidin-2-yl)ethanol?
The InChIKey is ICDJVZZXQZTFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO.C6H12FNO.2C2H6/c1-9-6-3-2-4-8(9)5-7-10;1-8-3-2-5(7)6(9)4-8;2*1-2/h8,10H,2-7H2,1H3;5-6,9H,2-4H2,1H3;2*1-2H3.
What are the key properties of ethane;4-fluoro-1-methylpiperidin-3-ol;2-(1-methylpiperidin-2-yl)ethanol?
ethane;4-fluoro-1-methylpiperidin-3-ol;2-(1-methylpiperidin-2-yl)ethanol has a molecular weight of 336.54 g/mol, XLogP of 2.93, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-fluoro-1-methylpiperidin-3-ol;2-(1-methylpiperidin-2-yl)ethanol is sourced from PubChem (CID 166141777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).