4-fluoro-1,3-di(propan-2-yl)piperidine

C11H22FN — CID 156799135

IUPAC4-fluoro-1,3-di(propan-2-yl)piperidine
SMILESCC(C)C1CN(C(C)C)CCC1F
InChIInChI=1S/C11H22FN/c1-8(2)10-7-13(9(3)4)6-5-11(10)12/h8-11H,5-7H2,1-4H3
InChIKeyHEKTYRKZCXMPSW-UHFFFAOYSA-N
MW187.30 g/mol
LogP2.71
Rot. Bonds2

About 4-fluoro-1,3-di(propan-2-yl)piperidine

4-fluoro-1,3-di(propan-2-yl)piperidine (PubChem CID 156799135) has the molecular formula C11H22FN and a molecular weight of 187.30 g/mol. Its IUPAC name is 4-fluoro-1,3-di(propan-2-yl)piperidine.

Molecular Properties

Compound Name4-fluoro-1,3-di(propan-2-yl)piperidine
PubChem CID156799135
Molecular FormulaC11H22FN
Molecular Weight187.30 g/mol
Exact Mass187.17
IUPAC Name4-fluoro-1,3-di(propan-2-yl)piperidine
SMILESCC(C)C1CN(C(C)C)CCC1F
InChIInChI=1S/C11H22FN/c1-8(2)10-7-13(9(3)4)6-5-11(10)12/h8-11H,5-7H2,1-4H3
InChIKeyHEKTYRKZCXMPSW-UHFFFAOYSA-N
XLogP2.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.30
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,2,5-Trimethylpiperidine
CID 338922
(2S,4S)-1,2,4-trimethylpiperidine
CID 21627805
Piperidine, 1,2,4-trimethyl-
CID 21627804
Piperidine, 1,2,2,4-tetramethyl-
CID 23423757
1,2,4,6-Tetramethylpiperidine
CID 435108
1,2,4-Trimethylpiperidine
CID 14454419
1-Methyl-3-athyl-piperidin
CID 17764459
(2S,3R)-1,2,3-trimethylpiperidine
CID 642610
(3R)-1-(2,2-dimethylpropyl)-3-ethyl-3-fluoropiperidine
CID 135037327
5-Fluoro-1,2,2,3,3-pentamethylpiperidine
CID 176438888
4-Tert-butyl-1-propan-2-ylpiperidine
CID 12722193
1,3,4-Trimethylpiperidine
CID 14454423

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1,3-di(propan-2-yl)piperidine?
The IUPAC name of 4-fluoro-1,3-di(propan-2-yl)piperidine (CID 156799135) is 4-fluoro-1,3-di(propan-2-yl)piperidine.
What is the SMILES notation for 4-fluoro-1,3-di(propan-2-yl)piperidine?
The canonical SMILES for 4-fluoro-1,3-di(propan-2-yl)piperidine is CC(C)C1CN(C(C)C)CCC1F.
What is the InChIKey of 4-fluoro-1,3-di(propan-2-yl)piperidine?
The InChIKey is HEKTYRKZCXMPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FN/c1-8(2)10-7-13(9(3)4)6-5-11(10)12/h8-11H,5-7H2,1-4H3.
What are the key properties of 4-fluoro-1,3-di(propan-2-yl)piperidine?
4-fluoro-1,3-di(propan-2-yl)piperidine has a molecular weight of 187.30 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1,3-di(propan-2-yl)piperidine is sourced from PubChem (CID 156799135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).