(3R,4S)-1-(2,2-dimethylbutyl)-4-fluoropiperidin-3-ol

C11H22FNO — CID 138498136

IUPAC(3R,4S)-1-(2,2-dimethylbutyl)-4-fluoropiperidin-3-ol
SMILESCCC(C)(C)CN1CC[C@H](F)[C@H](O)C1
InChIInChI=1S/C11H22FNO/c1-4-11(2,3)8-13-6-5-9(12)10(14)7-13/h9-10,14H,4-8H2,1-3H3/t9-,10+/m0/s1
InChIKeyUKLNPNVDGAHXLM-VHSXEESVSA-N
MW203.30 g/mol
LogP1.83
Rot. Bonds3

About (3R,4S)-1-(2,2-dimethylbutyl)-4-fluoropiperidin-3-ol

(3R,4S)-1-(2,2-dimethylbutyl)-4-fluoropiperidin-3-ol (PubChem CID 138498136) has the molecular formula C11H22FNO and a molecular weight of 203.30 g/mol. Its IUPAC name is (3R,4S)-1-(2,2-dimethylbutyl)-4-fluoropiperidin-3-ol.

Molecular Properties

Compound Name(3R,4S)-1-(2,2-dimethylbutyl)-4-fluoropiperidin-3-ol
PubChem CID138498136
Molecular FormulaC11H22FNO
Molecular Weight203.30 g/mol
Exact Mass203.17
IUPAC Name(3R,4S)-1-(2,2-dimethylbutyl)-4-fluoropiperidin-3-ol
SMILESCCC(C)(C)CN1CC[C@H](F)[C@H](O)C1
InChIInChI=1S/C11H22FNO/c1-4-11(2,3)8-13-6-5-9(12)10(14)7-13/h9-10,14H,4-8H2,1-3H3/t9-,10+/m0/s1
InChIKeyUKLNPNVDGAHXLM-VHSXEESVSA-N
XLogP1.83
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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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Related Compounds

(3R,4R)-1-(2,2-dimethyl-3-morpholin-4-ylpropyl)-4-fluoropyrrolidin-3-ol
CID 131925527
N-cyclopropyl-1-(2,2-dimethylbutyl)pyrrolidin-3-amine
CID 103465025
1-(2,2-dimethylbutyl)-N-propylpyrrolidin-3-amine
CID 103461871
(3S,4R)-1-ethyl-3-fluoropiperidin-4-ol
CID 67202820
1-ethyl-3-fluoropiperidin-4-ol
CID 58266532
(3S,4S)-1-(2-methyl-2-morpholin-4-ylpropyl)piperidine-3,4-diol
CID 131929418
1-(2,2-dimethylbutyl)-N-propylpiperidin-4-amine
CID 103461877
1-(2,2-dimethylpropyl)-3-fluoroazetidine;1-(2,2-dimethylpropyl)-3-fluoropyrrolidine
CID 158121674
(3R)-4-(2,2-dimethylpropyl)-1-ethylpiperidin-3-ol
CID 58286758
1-(3-bromo-2,2-dimethylpropyl)piperidin-4-ol
CID 65000596
3-(3-methoxypyrrolidin-1-yl)-2,2-dimethylpropan-1-ol
CID 103539225
1-(2,2-dimethyl-3-pyrrolidin-1-ylpropyl)azepan-4-ol
CID 131923534

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-(2,2-dimethylbutyl)-4-fluoropiperidin-3-ol?
The IUPAC name of (3R,4S)-1-(2,2-dimethylbutyl)-4-fluoropiperidin-3-ol (CID 138498136) is (3R,4S)-1-(2,2-dimethylbutyl)-4-fluoropiperidin-3-ol.
What is the SMILES notation for (3R,4S)-1-(2,2-dimethylbutyl)-4-fluoropiperidin-3-ol?
The canonical SMILES for (3R,4S)-1-(2,2-dimethylbutyl)-4-fluoropiperidin-3-ol is CCC(C)(C)CN1CC[C@H](F)[C@H](O)C1.
What is the InChIKey of (3R,4S)-1-(2,2-dimethylbutyl)-4-fluoropiperidin-3-ol?
The InChIKey is UKLNPNVDGAHXLM-VHSXEESVSA-N. The full InChI is InChI=1S/C11H22FNO/c1-4-11(2,3)8-13-6-5-9(12)10(14)7-13/h9-10,14H,4-8H2,1-3H3/t9-,10+/m0/s1.
What are the key properties of (3R,4S)-1-(2,2-dimethylbutyl)-4-fluoropiperidin-3-ol?
(3R,4S)-1-(2,2-dimethylbutyl)-4-fluoropiperidin-3-ol has a molecular weight of 203.30 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-(2,2-dimethylbutyl)-4-fluoropiperidin-3-ol is sourced from PubChem (CID 138498136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).