(2S)-2-(2-fluoroethyl)-1,4-di(propan-2-yl)piperidine

C13H26FN — CID 171506116

IUPAC(2S)-2-(2-fluoroethyl)-1,4-di(propan-2-yl)piperidine
SMILESCC(C)C1CCN(C(C)C)[C@H](CCF)C1
InChIInChI=1S/C13H26FN/c1-10(2)12-6-8-15(11(3)4)13(9-12)5-7-14/h10-13H,5-9H2,1-4H3/t12?,13-/m1/s1
InChIKeyFZRXNHOSRGAUPF-ZGTCLIOFSA-N
MW215.36 g/mol
LogP3.49
Rot. Bonds4

About (2S)-2-(2-fluoroethyl)-1,4-di(propan-2-yl)piperidine

(2S)-2-(2-fluoroethyl)-1,4-di(propan-2-yl)piperidine (PubChem CID 171506116) has the molecular formula C13H26FN and a molecular weight of 215.36 g/mol. Its IUPAC name is (2S)-2-(2-fluoroethyl)-1,4-di(propan-2-yl)piperidine.

Molecular Properties

Compound Name(2S)-2-(2-fluoroethyl)-1,4-di(propan-2-yl)piperidine
PubChem CID171506116
Molecular FormulaC13H26FN
Molecular Weight215.36 g/mol
Exact Mass215.20
IUPAC Name(2S)-2-(2-fluoroethyl)-1,4-di(propan-2-yl)piperidine
SMILESCC(C)C1CCN(C(C)C)[C@H](CCF)C1
InChIInChI=1S/C13H26FN/c1-10(2)12-6-8-15(11(3)4)13(9-12)5-7-14/h10-13H,5-9H2,1-4H3/t12?,13-/m1/s1
InChIKeyFZRXNHOSRGAUPF-ZGTCLIOFSA-N
XLogP3.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.36
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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2-ethyl-1-propan-2-ylazetidine;propane
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2-ethyl-4-methyl-1-propan-2-ylpiperidine
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(4-methyl-1-propan-2-ylpiperidin-2-yl)methanamine
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2-ethyl-1-propan-2-ylpiperidine-4-carboxylic acid
CID 54268210
2-(2-fluoroethyl)-4-propan-2-ylcyclohexan-1-ol
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2-(1-propan-2-ylpyrrolidin-2-yl)ethanamine
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(2S,3R)-1,2-di(propan-2-yl)pyrrolidin-3-ol
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(1-propan-2-ylpyrrolidin-2-yl)methanamine
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1,4-di(propan-2-yl)piperidine
CID 21303253

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-fluoroethyl)-1,4-di(propan-2-yl)piperidine?
The IUPAC name of (2S)-2-(2-fluoroethyl)-1,4-di(propan-2-yl)piperidine (CID 171506116) is (2S)-2-(2-fluoroethyl)-1,4-di(propan-2-yl)piperidine.
What is the SMILES notation for (2S)-2-(2-fluoroethyl)-1,4-di(propan-2-yl)piperidine?
The canonical SMILES for (2S)-2-(2-fluoroethyl)-1,4-di(propan-2-yl)piperidine is CC(C)C1CCN(C(C)C)[C@H](CCF)C1.
What is the InChIKey of (2S)-2-(2-fluoroethyl)-1,4-di(propan-2-yl)piperidine?
The InChIKey is FZRXNHOSRGAUPF-ZGTCLIOFSA-N. The full InChI is InChI=1S/C13H26FN/c1-10(2)12-6-8-15(11(3)4)13(9-12)5-7-14/h10-13H,5-9H2,1-4H3/t12?,13-/m1/s1.
What are the key properties of (2S)-2-(2-fluoroethyl)-1,4-di(propan-2-yl)piperidine?
(2S)-2-(2-fluoroethyl)-1,4-di(propan-2-yl)piperidine has a molecular weight of 215.36 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-fluoroethyl)-1,4-di(propan-2-yl)piperidine is sourced from PubChem (CID 171506116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).