2-(fluoromethyl)-1,5-di(propan-2-yl)piperidine

C12H24FN — CID 58778779

IUPAC2-(fluoromethyl)-1,5-di(propan-2-yl)piperidine
SMILESCC(C)C1CCC(CF)N(C(C)C)C1
InChIInChI=1S/C12H24FN/c1-9(2)11-5-6-12(7-13)14(8-11)10(3)4/h9-12H,5-8H2,1-4H3
InChIKeyLBJPNNOGOIMBAJ-UHFFFAOYSA-N
MW201.33 g/mol
LogP3.10
Rot. Bonds3

About 2-(fluoromethyl)-1,5-di(propan-2-yl)piperidine

2-(fluoromethyl)-1,5-di(propan-2-yl)piperidine (PubChem CID 58778779) has the molecular formula C12H24FN and a molecular weight of 201.33 g/mol. Its IUPAC name is 2-(fluoromethyl)-1,5-di(propan-2-yl)piperidine.

Molecular Properties

Compound Name2-(fluoromethyl)-1,5-di(propan-2-yl)piperidine
PubChem CID58778779
Molecular FormulaC12H24FN
Molecular Weight201.33 g/mol
Exact Mass201.19
IUPAC Name2-(fluoromethyl)-1,5-di(propan-2-yl)piperidine
SMILESCC(C)C1CCC(CF)N(C(C)C)C1
InChIInChI=1S/C12H24FN/c1-9(2)11-5-6-12(7-13)14(8-11)10(3)4/h9-12H,5-8H2,1-4H3
InChIKeyLBJPNNOGOIMBAJ-UHFFFAOYSA-N
XLogP3.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Ethyl-3-(2-methylbutyl)piperidine
CID 3016925
1,2,5-Trimethylpiperidine
CID 338922
Piperidine, 1,2,4-trimethyl-
CID 21627804
(2S,4S)-1,2,4-trimethylpiperidine
CID 21627805
1,2,2,6-Tetramethylpiperidine
CID 23423758
Piperidine, 4-cyclohexyl-1-isopropyl-, hydrochloride
CID 3047643
1,2,4,6-Tetramethylpiperidine
CID 435108
1,2,4-Trimethylpiperidine
CID 14454419
1-(1,5,9-Trimethyl-decyl)-piperidine
CID 44271489
(2S,3R)-1,2,3-trimethylpiperidine
CID 642610
1-Methyl-2-(4-methylpentyl)piperidine
CID 121009410
1-(3,7-Dimethyloctyl)piperidine
CID 13254823

Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)-1,5-di(propan-2-yl)piperidine?
The IUPAC name of 2-(fluoromethyl)-1,5-di(propan-2-yl)piperidine (CID 58778779) is 2-(fluoromethyl)-1,5-di(propan-2-yl)piperidine.
What is the SMILES notation for 2-(fluoromethyl)-1,5-di(propan-2-yl)piperidine?
The canonical SMILES for 2-(fluoromethyl)-1,5-di(propan-2-yl)piperidine is CC(C)C1CCC(CF)N(C(C)C)C1.
What is the InChIKey of 2-(fluoromethyl)-1,5-di(propan-2-yl)piperidine?
The InChIKey is LBJPNNOGOIMBAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24FN/c1-9(2)11-5-6-12(7-13)14(8-11)10(3)4/h9-12H,5-8H2,1-4H3.
What are the key properties of 2-(fluoromethyl)-1,5-di(propan-2-yl)piperidine?
2-(fluoromethyl)-1,5-di(propan-2-yl)piperidine has a molecular weight of 201.33 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)-1,5-di(propan-2-yl)piperidine is sourced from PubChem (CID 58778779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).