1-tert-butyl-4-fluoro-4-methylpiperidin-3-ol

C10H20FNO — CID 135271494

IUPAC1-tert-butyl-4-fluoro-4-methylpiperidin-3-ol
SMILESCC1(F)CCN(C(C)(C)C)CC1O
InChIInChI=1S/C10H20FNO/c1-9(2,3)12-6-5-10(4,11)8(13)7-12/h8,13H,5-7H2,1-4H3
InChIKeyXOYCOPUHSWPSFJ-UHFFFAOYSA-N
MW189.27 g/mol
LogP1.58
Rot. Bonds

About 1-tert-butyl-4-fluoro-4-methylpiperidin-3-ol

1-tert-butyl-4-fluoro-4-methylpiperidin-3-ol (PubChem CID 135271494) has the molecular formula C10H20FNO and a molecular weight of 189.27 g/mol. Its IUPAC name is 1-tert-butyl-4-fluoro-4-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-tert-butyl-4-fluoro-4-methylpiperidin-3-ol
PubChem CID135271494
Molecular FormulaC10H20FNO
Molecular Weight189.27 g/mol
Exact Mass189.15
IUPAC Name1-tert-butyl-4-fluoro-4-methylpiperidin-3-ol
SMILESCC1(F)CCN(C(C)(C)C)CC1O
InChIInChI=1S/C10H20FNO/c1-9(2,3)12-6-5-10(4,11)8(13)7-12/h8,13H,5-7H2,1-4H3
InChIKeyXOYCOPUHSWPSFJ-UHFFFAOYSA-N
XLogP1.58
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.27
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-fluoro-4-methylpiperidin-3-ol?
The IUPAC name of 1-tert-butyl-4-fluoro-4-methylpiperidin-3-ol (CID 135271494) is 1-tert-butyl-4-fluoro-4-methylpiperidin-3-ol.
What is the SMILES notation for 1-tert-butyl-4-fluoro-4-methylpiperidin-3-ol?
The canonical SMILES for 1-tert-butyl-4-fluoro-4-methylpiperidin-3-ol is CC1(F)CCN(C(C)(C)C)CC1O.
What is the InChIKey of 1-tert-butyl-4-fluoro-4-methylpiperidin-3-ol?
The InChIKey is XOYCOPUHSWPSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FNO/c1-9(2,3)12-6-5-10(4,11)8(13)7-12/h8,13H,5-7H2,1-4H3.
What are the key properties of 1-tert-butyl-4-fluoro-4-methylpiperidin-3-ol?
1-tert-butyl-4-fluoro-4-methylpiperidin-3-ol has a molecular weight of 189.27 g/mol, XLogP of 1.58, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-fluoro-4-methylpiperidin-3-ol is sourced from PubChem (CID 135271494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).