1-(2-fluoroethyl)-3,3-dimethylpiperidine

C9H18FN — CID 131154120

IUPAC1-(2-fluoroethyl)-3,3-dimethylpiperidine
SMILESCC1(C)CCCN(CCF)C1
InChIInChI=1S/C9H18FN/c1-9(2)4-3-6-11(8-9)7-5-10/h3-8H2,1-2H3
InChIKeyRLGOOTCKKLDNLY-UHFFFAOYSA-N
MW159.25 g/mol
LogP2.08
Rot. Bonds2

About 1-(2-fluoroethyl)-3,3-dimethylpiperidine

1-(2-fluoroethyl)-3,3-dimethylpiperidine (PubChem CID 131154120) has the molecular formula C9H18FN and a molecular weight of 159.25 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-3,3-dimethylpiperidine.

Molecular Properties

Compound Name1-(2-fluoroethyl)-3,3-dimethylpiperidine
PubChem CID131154120
Molecular FormulaC9H18FN
Molecular Weight159.25 g/mol
Exact Mass159.14
IUPAC Name1-(2-fluoroethyl)-3,3-dimethylpiperidine
SMILESCC1(C)CCCN(CCF)C1
InChIInChI=1S/C9H18FN/c1-9(2)4-3-6-11(8-9)7-5-10/h3-8H2,1-2H3
InChIKeyRLGOOTCKKLDNLY-UHFFFAOYSA-N
XLogP2.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-(2-fluoroethyl)-6-azaspiro[3.5]nonane
CID 131131774
1-(3-fluoropropyl)-3-methylpiperidine-3-carboxylic acid
CID 81113759
6-(3,3-dimethylpiperidin-1-yl)hexanamide
CID 176680347
7-(3,3-dimethylpiperidin-1-yl)heptanamide;ethane
CID 176680296
(2S)-2-[2-(3,3-dimethylpiperidin-1-yl)ethyl]-4-methylpentan-1-amine
CID 112736755
1-ethyl-3,3-dimethylazepane
CID 90730492
3,3-dimethyl-1-[2-(3-methylazetidin-3-yl)oxyethyl]piperidine
CID 102656949
2-(3-fluoro-3-methylpiperidin-1-yl)ethanamine
CID 115012585
(2R)-1-(3,3-dimethylpiperidin-1-yl)propan-2-amine
CID 103934688
N'-[2-(3,3-dimethylpiperidin-1-yl)ethyl]azetidine-1-carboximidamide
CID 122095647
4,4-dimethyl-1-(2-methylpropyl)piperidine;3,3-dimethyl-1-propylpiperidine
CID 177033063
5-(3,3-dimethylpiperidin-1-yl)-2,2-dimethylpentanethioamide
CID 65259698

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-3,3-dimethylpiperidine?
The IUPAC name of 1-(2-fluoroethyl)-3,3-dimethylpiperidine (CID 131154120) is 1-(2-fluoroethyl)-3,3-dimethylpiperidine.
What is the SMILES notation for 1-(2-fluoroethyl)-3,3-dimethylpiperidine?
The canonical SMILES for 1-(2-fluoroethyl)-3,3-dimethylpiperidine is CC1(C)CCCN(CCF)C1.
What is the InChIKey of 1-(2-fluoroethyl)-3,3-dimethylpiperidine?
The InChIKey is RLGOOTCKKLDNLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FN/c1-9(2)4-3-6-11(8-9)7-5-10/h3-8H2,1-2H3.
What are the key properties of 1-(2-fluoroethyl)-3,3-dimethylpiperidine?
1-(2-fluoroethyl)-3,3-dimethylpiperidine has a molecular weight of 159.25 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-3,3-dimethylpiperidine is sourced from PubChem (CID 131154120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).