2-(4,4-difluoro-5-methylpiperidin-3-yl)-N,N-dimethylethanamine

C10H20F2N2 — CID 171525999

IUPAC2-(4,4-difluoro-5-methylpiperidin-3-yl)-N,N-dimethylethanamine
SMILESCC1CNCC(CCN(C)C)C1(F)F
InChIInChI=1S/C10H20F2N2/c1-8-6-13-7-9(10(8,11)12)4-5-14(2)3/h8-9,13H,4-7H2,1-3H3
InChIKeyRCLVLQINVMJTNU-UHFFFAOYSA-N
MW206.28 g/mol
LogP1.43
Rot. Bonds3

About 2-(4,4-difluoro-5-methylpiperidin-3-yl)-N,N-dimethylethanamine

2-(4,4-difluoro-5-methylpiperidin-3-yl)-N,N-dimethylethanamine (PubChem CID 171525999) has the molecular formula C10H20F2N2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 2-(4,4-difluoro-5-methylpiperidin-3-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(4,4-difluoro-5-methylpiperidin-3-yl)-N,N-dimethylethanamine
PubChem CID171525999
Molecular FormulaC10H20F2N2
Molecular Weight206.28 g/mol
Exact Mass206.16
IUPAC Name2-(4,4-difluoro-5-methylpiperidin-3-yl)-N,N-dimethylethanamine
SMILESCC1CNCC(CCN(C)C)C1(F)F
InChIInChI=1S/C10H20F2N2/c1-8-6-13-7-9(10(8,11)12)4-5-14(2)3/h8-9,13H,4-7H2,1-3H3
InChIKeyRCLVLQINVMJTNU-UHFFFAOYSA-N
XLogP1.43
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[2-(azetidin-3-yl)ethyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 116679847
(2S,4R)-3,3-difluoro-4-methyl-2-propylpyrrolidine
CID 131114072
1-[2-(4,4-difluoropiperidin-3-yl)ethyl]-1-propan-2-ylhydrazine
CID 146376028
2-(2,5-dimethylcyclopentyl)-N,N-dimethylethanamine
CID 168836520
2-(3,4-dimethylcyclopentyl)-N,N-dimethylethanamine
CID 168836528
ethane;3-methylazetidine
CID 90730870
2-(3-azaspiro[5.5]undecan-9-yl)-N,N-dimethylethanamine
CID 58101761
(1R,5S)-6,6-difluoro-3-azabicyclo[3.1.0]hexane
CID 51900833
2-(diazinan-4-yl)-N,N-dimethylethanamine
CID 23090108
ethane;N-methyl-N-propylazetidin-3-amine
CID 144899605
ethane;4-ethyl-3,3-difluoropyrrolidine
CID 177028431
N-(2,2-difluoroethyl)-N-methylazetidin-3-amine;ethane
CID 145168742

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluoro-5-methylpiperidin-3-yl)-N,N-dimethylethanamine?
The IUPAC name of 2-(4,4-difluoro-5-methylpiperidin-3-yl)-N,N-dimethylethanamine (CID 171525999) is 2-(4,4-difluoro-5-methylpiperidin-3-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(4,4-difluoro-5-methylpiperidin-3-yl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(4,4-difluoro-5-methylpiperidin-3-yl)-N,N-dimethylethanamine is CC1CNCC(CCN(C)C)C1(F)F.
What is the InChIKey of 2-(4,4-difluoro-5-methylpiperidin-3-yl)-N,N-dimethylethanamine?
The InChIKey is RCLVLQINVMJTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F2N2/c1-8-6-13-7-9(10(8,11)12)4-5-14(2)3/h8-9,13H,4-7H2,1-3H3.
What are the key properties of 2-(4,4-difluoro-5-methylpiperidin-3-yl)-N,N-dimethylethanamine?
2-(4,4-difluoro-5-methylpiperidin-3-yl)-N,N-dimethylethanamine has a molecular weight of 206.28 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluoro-5-methylpiperidin-3-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 171525999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).