(3S)-N,N-diethyl-4,4-difluoropiperidin-3-amine

C9H18F2N2 — CID 115019066

IUPAC(3S)-N,N-diethyl-4,4-difluoropiperidin-3-amine
SMILESCCN(CC)[C@H]1CNCCC1(F)F
InChIInChI=1S/C9H18F2N2/c1-3-13(4-2)8-7-12-6-5-9(8,10)11/h8,12H,3-7H2,1-2H3/t8-/m0/s1
InChIKeyIJXCPIMLTUBXNR-QMMMGPOBSA-N
MW192.25 g/mol
LogP1.33
Rot. Bonds3

About (3S)-N,N-diethyl-4,4-difluoropiperidin-3-amine

(3S)-N,N-diethyl-4,4-difluoropiperidin-3-amine (PubChem CID 115019066) has the molecular formula C9H18F2N2 and a molecular weight of 192.25 g/mol. Its IUPAC name is (3S)-N,N-diethyl-4,4-difluoropiperidin-3-amine.

Molecular Properties

Compound Name(3S)-N,N-diethyl-4,4-difluoropiperidin-3-amine
PubChem CID115019066
Molecular FormulaC9H18F2N2
Molecular Weight192.25 g/mol
Exact Mass192.14
IUPAC Name(3S)-N,N-diethyl-4,4-difluoropiperidin-3-amine
SMILESCCN(CC)[C@H]1CNCCC1(F)F
InChIInChI=1S/C9H18F2N2/c1-3-13(4-2)8-7-12-6-5-9(8,10)11/h8,12H,3-7H2,1-2H3/t8-/m0/s1
InChIKeyIJXCPIMLTUBXNR-QMMMGPOBSA-N
XLogP1.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3,4,4-trifluoropiperidine
CID 124662369
4,4-difluoropiperidin-3-amine
CID 86775600
4,4-difluoro-3-propan-2-ylpiperidine
CID 84651634
N-ethyl-2-[ethyl-(4-hydroxy-4-methylpiperidin-3-yl)amino]acetamide
CID 114249721
3-ethyl-4-fluoro-4-methylpiperidine
CID 84716301
(3S)-N,N-diethylpyrrolidin-3-amine
CID 30722524
4,4-difluoropiperidin-3-amine;hydrochloride
CID 121487885
4-[[ethyl(pyrrolidin-3-yl)amino]methyl]piperidin-4-ol
CID 126846044
1-[2-(4,4-difluoropiperidin-3-yl)ethyl]-1-propan-2-ylhydrazine
CID 146376028
4,4-difluoro-5-propylazepane
CID 84656071
4-fluoro-4-methyl-3-propylpiperidine
CID 84716694
(3R)-4,4-difluoropiperidine-3-carbonitrile
CID 142278456

Frequently Asked Questions

What is the IUPAC name of (3S)-N,N-diethyl-4,4-difluoropiperidin-3-amine?
The IUPAC name of (3S)-N,N-diethyl-4,4-difluoropiperidin-3-amine (CID 115019066) is (3S)-N,N-diethyl-4,4-difluoropiperidin-3-amine.
What is the SMILES notation for (3S)-N,N-diethyl-4,4-difluoropiperidin-3-amine?
The canonical SMILES for (3S)-N,N-diethyl-4,4-difluoropiperidin-3-amine is CCN(CC)[C@H]1CNCCC1(F)F.
What is the InChIKey of (3S)-N,N-diethyl-4,4-difluoropiperidin-3-amine?
The InChIKey is IJXCPIMLTUBXNR-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H18F2N2/c1-3-13(4-2)8-7-12-6-5-9(8,10)11/h8,12H,3-7H2,1-2H3/t8-/m0/s1.
What are the key properties of (3S)-N,N-diethyl-4,4-difluoropiperidin-3-amine?
(3S)-N,N-diethyl-4,4-difluoropiperidin-3-amine has a molecular weight of 192.25 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N,N-diethyl-4,4-difluoropiperidin-3-amine is sourced from PubChem (CID 115019066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).