3,3-difluoro-1-methyl-N-propylpiperidin-4-amine

C9H18F2N2 — CID 178010503

IUPAC3,3-difluoro-1-methyl-N-propylpiperidin-4-amine
SMILESCCCNC1CCN(C)CC1(F)F
InChIInChI=1S/C9H18F2N2/c1-3-5-12-8-4-6-13(2)7-9(8,10)11/h8,12H,3-7H2,1-2H3
InChIKeyBUFFABMJXYYVLE-UHFFFAOYSA-N
MW192.25 g/mol
LogP1.33
Rot. Bonds3

About 3,3-difluoro-1-methyl-N-propylpiperidin-4-amine

3,3-difluoro-1-methyl-N-propylpiperidin-4-amine (PubChem CID 178010503) has the molecular formula C9H18F2N2 and a molecular weight of 192.25 g/mol. Its IUPAC name is 3,3-difluoro-1-methyl-N-propylpiperidin-4-amine.

Molecular Properties

Compound Name3,3-difluoro-1-methyl-N-propylpiperidin-4-amine
PubChem CID178010503
Molecular FormulaC9H18F2N2
Molecular Weight192.25 g/mol
Exact Mass192.14
IUPAC Name3,3-difluoro-1-methyl-N-propylpiperidin-4-amine
SMILESCCCNC1CCN(C)CC1(F)F
InChIInChI=1S/C9H18F2N2/c1-3-5-12-8-4-6-13(2)7-9(8,10)11/h8,12H,3-7H2,1-2H3
InChIKeyBUFFABMJXYYVLE-UHFFFAOYSA-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

(4S)-4-ethyl-3,3-difluoro-1-methylpiperidine
CID 178161394
3,3-difluoro-1,4-dimethylpiperidine
CID 23395561
3,3-difluoro-1,4-dimethylpiperidine;ethane
CID 143933716
(3R)-1-methyl-N-propylpyrrolidin-3-amine
CID 93285609
3,3-difluoro-1-methylpiperidin-4-ol;ethane
CID 164870168
3,3-difluoro-1-methylpiperidin-4-ol;ethane
CID 166075423
1-[(1,4-dimethylpiperidin-4-yl)methyl]-N-propylpiperidin-4-amine
CID 107164155
1-[(3,3-difluoro-1-methylpiperidin-4-yl)methyl]-4-ethylpiperazine;ethane
CID 170629245
1,2,2,6,6-pentamethyl-N-propylpiperidin-3-amine
CID 141062071
1-(3,3-difluoro-1-methylpiperidin-4-yl)-4-methylpiperazine;ethane
CID 170578014
2,2,3,3-tetramethyl-N-propylcyclobutan-1-amine
CID 91326970
3-N-methyl-3-N-(1-methylpiperidin-4-yl)-1-N-propylcyclopentane-1,3-diamine
CID 79642701

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-methyl-N-propylpiperidin-4-amine?
The IUPAC name of 3,3-difluoro-1-methyl-N-propylpiperidin-4-amine (CID 178010503) is 3,3-difluoro-1-methyl-N-propylpiperidin-4-amine.
What is the SMILES notation for 3,3-difluoro-1-methyl-N-propylpiperidin-4-amine?
The canonical SMILES for 3,3-difluoro-1-methyl-N-propylpiperidin-4-amine is CCCNC1CCN(C)CC1(F)F.
What is the InChIKey of 3,3-difluoro-1-methyl-N-propylpiperidin-4-amine?
The InChIKey is BUFFABMJXYYVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2N2/c1-3-5-12-8-4-6-13(2)7-9(8,10)11/h8,12H,3-7H2,1-2H3.
What are the key properties of 3,3-difluoro-1-methyl-N-propylpiperidin-4-amine?
3,3-difluoro-1-methyl-N-propylpiperidin-4-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 3,3-difluoro-1-methyl-N-propylpiperidin-4-amine is sourced from PubChem (CID 178010503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).