(2S)-2-(1-tert-butylpiperidin-4-yl)-2-fluoroethanol

C11H22FNO — CID 126752518

IUPAC(2S)-2-(1-tert-butylpiperidin-4-yl)-2-fluoroethanol
SMILESCC(C)(C)N1CCC([C@H](F)CO)CC1
InChIInChI=1S/C11H22FNO/c1-11(2,3)13-6-4-9(5-7-13)10(12)8-14/h9-10,14H,4-8H2,1-3H3/t10-/m1/s1
InChIKeyMRKFNCFWAUGREY-SNVBAGLBSA-N
MW203.30 g/mol
LogP1.83
Rot. Bonds2

About (2S)-2-(1-tert-butylpiperidin-4-yl)-2-fluoroethanol

(2S)-2-(1-tert-butylpiperidin-4-yl)-2-fluoroethanol (PubChem CID 126752518) has the molecular formula C11H22FNO and a molecular weight of 203.30 g/mol. Its IUPAC name is (2S)-2-(1-tert-butylpiperidin-4-yl)-2-fluoroethanol.

Molecular Properties

Compound Name(2S)-2-(1-tert-butylpiperidin-4-yl)-2-fluoroethanol
PubChem CID126752518
Molecular FormulaC11H22FNO
Molecular Weight203.30 g/mol
Exact Mass203.17
IUPAC Name(2S)-2-(1-tert-butylpiperidin-4-yl)-2-fluoroethanol
SMILESCC(C)(C)N1CCC([C@H](F)CO)CC1
InChIInChI=1S/C11H22FNO/c1-11(2,3)13-6-4-9(5-7-13)10(12)8-14/h9-10,14H,4-8H2,1-3H3/t10-/m1/s1
InChIKeyMRKFNCFWAUGREY-SNVBAGLBSA-N
XLogP1.83
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.30
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1-tert-butylpiperidin-4-yl)-2-fluoroethanol?
The IUPAC name of (2S)-2-(1-tert-butylpiperidin-4-yl)-2-fluoroethanol (CID 126752518) is (2S)-2-(1-tert-butylpiperidin-4-yl)-2-fluoroethanol.
What is the SMILES notation for (2S)-2-(1-tert-butylpiperidin-4-yl)-2-fluoroethanol?
The canonical SMILES for (2S)-2-(1-tert-butylpiperidin-4-yl)-2-fluoroethanol is CC(C)(C)N1CCC([C@H](F)CO)CC1.
What is the InChIKey of (2S)-2-(1-tert-butylpiperidin-4-yl)-2-fluoroethanol?
The InChIKey is MRKFNCFWAUGREY-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H22FNO/c1-11(2,3)13-6-4-9(5-7-13)10(12)8-14/h9-10,14H,4-8H2,1-3H3/t10-/m1/s1.
What are the key properties of (2S)-2-(1-tert-butylpiperidin-4-yl)-2-fluoroethanol?
(2S)-2-(1-tert-butylpiperidin-4-yl)-2-fluoroethanol has a molecular weight of 203.30 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1-tert-butylpiperidin-4-yl)-2-fluoroethanol is sourced from PubChem (CID 126752518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).