1-(5,5-difluoro-6-propan-2-ylpiperidin-2-yl)-N-methylmethanamine

C10H20F2N2 — CID 171531009

IUPAC1-(5,5-difluoro-6-propan-2-ylpiperidin-2-yl)-N-methylmethanamine
SMILESCNCC1CCC(F)(F)C(C(C)C)N1
InChIInChI=1S/C10H20F2N2/c1-7(2)9-10(11,12)5-4-8(14-9)6-13-3/h7-9,13-14H,4-6H2,1-3H3
InChIKeyDAOAHXQDRXSREK-UHFFFAOYSA-N
MW206.28 g/mol
LogP1.62
Rot. Bonds3

About 1-(5,5-difluoro-6-propan-2-ylpiperidin-2-yl)-N-methylmethanamine

1-(5,5-difluoro-6-propan-2-ylpiperidin-2-yl)-N-methylmethanamine (PubChem CID 171531009) has the molecular formula C10H20F2N2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 1-(5,5-difluoro-6-propan-2-ylpiperidin-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5,5-difluoro-6-propan-2-ylpiperidin-2-yl)-N-methylmethanamine
PubChem CID171531009
Molecular FormulaC10H20F2N2
Molecular Weight206.28 g/mol
Exact Mass206.16
IUPAC Name1-(5,5-difluoro-6-propan-2-ylpiperidin-2-yl)-N-methylmethanamine
SMILESCNCC1CCC(F)(F)C(C(C)C)N1
InChIInChI=1S/C10H20F2N2/c1-7(2)9-10(11,12)5-4-8(14-9)6-13-3/h7-9,13-14H,4-6H2,1-3H3
InChIKeyDAOAHXQDRXSREK-UHFFFAOYSA-N
XLogP1.62
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5,5-difluoro-6-propan-2-ylpiperidin-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(5,5-difluoro-6-propan-2-ylpiperidin-2-yl)-N-methylmethanamine (CID 171531009) is 1-(5,5-difluoro-6-propan-2-ylpiperidin-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(5,5-difluoro-6-propan-2-ylpiperidin-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(5,5-difluoro-6-propan-2-ylpiperidin-2-yl)-N-methylmethanamine is CNCC1CCC(F)(F)C(C(C)C)N1.
What is the InChIKey of 1-(5,5-difluoro-6-propan-2-ylpiperidin-2-yl)-N-methylmethanamine?
The InChIKey is DAOAHXQDRXSREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F2N2/c1-7(2)9-10(11,12)5-4-8(14-9)6-13-3/h7-9,13-14H,4-6H2,1-3H3.
What are the key properties of 1-(5,5-difluoro-6-propan-2-ylpiperidin-2-yl)-N-methylmethanamine?
1-(5,5-difluoro-6-propan-2-ylpiperidin-2-yl)-N-methylmethanamine has a molecular weight of 206.28 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,5-difluoro-6-propan-2-ylpiperidin-2-yl)-N-methylmethanamine is sourced from PubChem (CID 171531009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).