N-(3,3-difluorobutan-2-yl)-1-methylpiperidin-4-amine

C10H20F2N2 — CID 131048505

IUPACN-(3,3-difluorobutan-2-yl)-1-methylpiperidin-4-amine
SMILESCC(NC1CCN(C)CC1)C(C)(F)F
InChIInChI=1S/C10H20F2N2/c1-8(10(2,11)12)13-9-4-6-14(3)7-5-9/h8-9,13H,4-7H2,1-3H3
InChIKeyJGIYOUZPEWPJNF-UHFFFAOYSA-N
MW206.28 g/mol
LogP1.71
Rot. Bonds3

About N-(3,3-difluorobutan-2-yl)-1-methylpiperidin-4-amine

N-(3,3-difluorobutan-2-yl)-1-methylpiperidin-4-amine (PubChem CID 131048505) has the molecular formula C10H20F2N2 and a molecular weight of 206.28 g/mol. Its IUPAC name is N-(3,3-difluorobutan-2-yl)-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-(3,3-difluorobutan-2-yl)-1-methylpiperidin-4-amine
PubChem CID131048505
Molecular FormulaC10H20F2N2
Molecular Weight206.28 g/mol
Exact Mass206.16
IUPAC NameN-(3,3-difluorobutan-2-yl)-1-methylpiperidin-4-amine
SMILESCC(NC1CCN(C)CC1)C(C)(F)F
InChIInChI=1S/C10H20F2N2/c1-8(10(2,11)12)13-9-4-6-14(3)7-5-9/h8-9,13H,4-7H2,1-3H3
InChIKeyJGIYOUZPEWPJNF-UHFFFAOYSA-N
XLogP1.71
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 ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,3-difluorobutan-2-yl)-4-methylcyclohexan-1-amine
CID 131161365
2-methyl-1-[(1-methylpiperidin-4-yl)amino]propan-1-ol
CID 154950670
N-[(1S)-1-cyclopentylethyl]-1-methylpiperidin-4-amine
CID 81386748
N-[(3E)-3-ethenyl-1,1,1-trifluorohexa-3,5-dien-2-yl]-1-methylpiperidin-4-amine
CID 144962808
ethane;1-methyl-N-propan-2-ylpiperidin-4-amine;1-methyl-N-propan-2-ylpyrrolidin-3-amine;molecular hydrogen
CID 142350050
(2S)-3-methyl-2-[(1-methylpiperidin-4-yl)amino]butan-1-ol
CID 79253287
2-methyl-3-[(1-methylpiperidin-4-yl)amino]butanenitrile
CID 130709605
2-methyl-3-[(1-propan-2-ylpiperidin-4-yl)amino]butan-2-ol
CID 65333127
1-methyl-N-(3-methylpentan-3-yl)piperidin-4-amine
CID 115920386
1-methyl-N-(2,2,3,3-tetrafluoropropyl)piperidin-4-amine
CID 103529557
N-heptan-4-yl-1-methylpiperidin-4-amine
CID 43373353
3-fluoro-3-(1-methylpiperidin-4-yl)butan-2-amine
CID 105443311

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluorobutan-2-yl)-1-methylpiperidin-4-amine?
The IUPAC name of N-(3,3-difluorobutan-2-yl)-1-methylpiperidin-4-amine (CID 131048505) is N-(3,3-difluorobutan-2-yl)-1-methylpiperidin-4-amine.
What is the SMILES notation for N-(3,3-difluorobutan-2-yl)-1-methylpiperidin-4-amine?
The canonical SMILES for N-(3,3-difluorobutan-2-yl)-1-methylpiperidin-4-amine is CC(NC1CCN(C)CC1)C(C)(F)F.
What is the InChIKey of N-(3,3-difluorobutan-2-yl)-1-methylpiperidin-4-amine?
The InChIKey is JGIYOUZPEWPJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F2N2/c1-8(10(2,11)12)13-9-4-6-14(3)7-5-9/h8-9,13H,4-7H2,1-3H3.
What are the key properties of N-(3,3-difluorobutan-2-yl)-1-methylpiperidin-4-amine?
N-(3,3-difluorobutan-2-yl)-1-methylpiperidin-4-amine has a molecular weight of 206.28 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluorobutan-2-yl)-1-methylpiperidin-4-amine is sourced from PubChem (CID 131048505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).