(5,5-difluoro-1-methyl-6-propan-2-ylpiperidin-2-yl)methanamine

C10H20F2N2 — CID 171531630

IUPAC(5,5-difluoro-1-methyl-6-propan-2-ylpiperidin-2-yl)methanamine
SMILESCC(C)C1N(C)C(CN)CCC1(F)F
InChIInChI=1S/C10H20F2N2/c1-7(2)9-10(11,12)5-4-8(6-13)14(9)3/h7-9H,4-6,13H2,1-3H3
InChIKeyNVCZBEPJIQOGDC-UHFFFAOYSA-N
MW206.28 g/mol
LogP1.70
Rot. Bonds2

About (5,5-difluoro-1-methyl-6-propan-2-ylpiperidin-2-yl)methanamine

(5,5-difluoro-1-methyl-6-propan-2-ylpiperidin-2-yl)methanamine (PubChem CID 171531630) has the molecular formula C10H20F2N2 and a molecular weight of 206.28 g/mol. Its IUPAC name is (5,5-difluoro-1-methyl-6-propan-2-ylpiperidin-2-yl)methanamine.

Molecular Properties

Compound Name(5,5-difluoro-1-methyl-6-propan-2-ylpiperidin-2-yl)methanamine
PubChem CID171531630
Molecular FormulaC10H20F2N2
Molecular Weight206.28 g/mol
Exact Mass206.16
IUPAC Name(5,5-difluoro-1-methyl-6-propan-2-ylpiperidin-2-yl)methanamine
SMILESCC(C)C1N(C)C(CN)CCC1(F)F
InChIInChI=1S/C10H20F2N2/c1-7(2)9-10(11,12)5-4-8(6-13)14(9)3/h7-9H,4-6,13H2,1-3H3
InChIKeyNVCZBEPJIQOGDC-UHFFFAOYSA-N
XLogP1.70
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5,5-difluoro-1-methyl-6-propan-2-ylpiperidin-2-yl)methanamine?
The IUPAC name of (5,5-difluoro-1-methyl-6-propan-2-ylpiperidin-2-yl)methanamine (CID 171531630) is (5,5-difluoro-1-methyl-6-propan-2-ylpiperidin-2-yl)methanamine.
What is the SMILES notation for (5,5-difluoro-1-methyl-6-propan-2-ylpiperidin-2-yl)methanamine?
The canonical SMILES for (5,5-difluoro-1-methyl-6-propan-2-ylpiperidin-2-yl)methanamine is CC(C)C1N(C)C(CN)CCC1(F)F.
What is the InChIKey of (5,5-difluoro-1-methyl-6-propan-2-ylpiperidin-2-yl)methanamine?
The InChIKey is NVCZBEPJIQOGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F2N2/c1-7(2)9-10(11,12)5-4-8(6-13)14(9)3/h7-9H,4-6,13H2,1-3H3.
What are the key properties of (5,5-difluoro-1-methyl-6-propan-2-ylpiperidin-2-yl)methanamine?
(5,5-difluoro-1-methyl-6-propan-2-ylpiperidin-2-yl)methanamine has a molecular weight of 206.28 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5,5-difluoro-1-methyl-6-propan-2-ylpiperidin-2-yl)methanamine is sourced from PubChem (CID 171531630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).