1-[(2S)-4,4-difluoropiperidin-2-yl]-N,N-dimethylmethanamine

C8H16F2N2 — CID 155100899

IUPAC1-[(2S)-4,4-difluoropiperidin-2-yl]-N,N-dimethylmethanamine
SMILESCN(C)C[C@@H]1CC(F)(F)CCN1
InChIInChI=1S/C8H16F2N2/c1-12(2)6-7-5-8(9,10)3-4-11-7/h7,11H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyDBGCGVAGDFPAHC-ZETCQYMHSA-N
MW178.23 g/mol
LogP0.94
Rot. Bonds2

About 1-[(2S)-4,4-difluoropiperidin-2-yl]-N,N-dimethylmethanamine

1-[(2S)-4,4-difluoropiperidin-2-yl]-N,N-dimethylmethanamine (PubChem CID 155100899) has the molecular formula C8H16F2N2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 1-[(2S)-4,4-difluoropiperidin-2-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[(2S)-4,4-difluoropiperidin-2-yl]-N,N-dimethylmethanamine
PubChem CID155100899
Molecular FormulaC8H16F2N2
Molecular Weight178.23 g/mol
Exact Mass178.13
IUPAC Name1-[(2S)-4,4-difluoropiperidin-2-yl]-N,N-dimethylmethanamine
SMILESCN(C)C[C@@H]1CC(F)(F)CCN1
InChIInChI=1S/C8H16F2N2/c1-12(2)6-7-5-8(9,10)3-4-11-7/h7,11H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyDBGCGVAGDFPAHC-ZETCQYMHSA-N
XLogP0.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Hexylpiperazine
CID 2736513
(1-Methylpiperidin-2-yl)methanamine
CID 2794677
N-(2-Piperidylmethyl)-dimethylamine
CID 252484
2-(2-Methylpiperidin-1-yl)ethan-1-amine
CID 3149263
N,1-dimethyl-N-[2-(methylamino)ethyl]piperidin-4-amine
CID 28598734
N,1-dimethylpiperidin-3-amine
CID 547176
2-(2-Ethylpiperidin-1-yl)ethan-1-amine
CID 6422628
Methyl[(1-methylpiperidin-2-yl)methyl]amine
CID 10240913
1-Propylpiperidin-3-amine
CID 18464262
Piperidine, 2-(((2-(diethylamino)ethyl)amino)methyl)-1,6-dimethyl-
CID 201021
1-(2-Aminopropyl)piperidine
CID 118143
2-(cis-2,6-Dimethyl-1-piperidinyl)ethanamine
CID 783702

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-4,4-difluoropiperidin-2-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[(2S)-4,4-difluoropiperidin-2-yl]-N,N-dimethylmethanamine (CID 155100899) is 1-[(2S)-4,4-difluoropiperidin-2-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[(2S)-4,4-difluoropiperidin-2-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[(2S)-4,4-difluoropiperidin-2-yl]-N,N-dimethylmethanamine is CN(C)C[C@@H]1CC(F)(F)CCN1.
What is the InChIKey of 1-[(2S)-4,4-difluoropiperidin-2-yl]-N,N-dimethylmethanamine?
The InChIKey is DBGCGVAGDFPAHC-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H16F2N2/c1-12(2)6-7-5-8(9,10)3-4-11-7/h7,11H,3-6H2,1-2H3/t7-/m0/s1.
What are the key properties of 1-[(2S)-4,4-difluoropiperidin-2-yl]-N,N-dimethylmethanamine?
1-[(2S)-4,4-difluoropiperidin-2-yl]-N,N-dimethylmethanamine has a molecular weight of 178.23 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-4,4-difluoropiperidin-2-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 155100899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).