3-fluoro-1-methyl-N,N-di(propan-2-yl)piperidin-4-amine

C12H25FN2 — CID 59289547

IUPAC3-fluoro-1-methyl-N,N-di(propan-2-yl)piperidin-4-amine
SMILESCC(C)N(C(C)C)C1CCN(C)CC1F
InChIInChI=1S/C12H25FN2/c1-9(2)15(10(3)4)12-6-7-14(5)8-11(12)13/h9-12H,6-8H2,1-5H3
InChIKeyHPJMTOJGXVKEJU-UHFFFAOYSA-N
MW216.34 g/mol
LogP2.15
Rot. Bonds3

About 3-fluoro-1-methyl-N,N-di(propan-2-yl)piperidin-4-amine

3-fluoro-1-methyl-N,N-di(propan-2-yl)piperidin-4-amine (PubChem CID 59289547) has the molecular formula C12H25FN2 and a molecular weight of 216.34 g/mol. Its IUPAC name is 3-fluoro-1-methyl-N,N-di(propan-2-yl)piperidin-4-amine.

Molecular Properties

Compound Name3-fluoro-1-methyl-N,N-di(propan-2-yl)piperidin-4-amine
PubChem CID59289547
Molecular FormulaC12H25FN2
Molecular Weight216.34 g/mol
Exact Mass216.20
IUPAC Name3-fluoro-1-methyl-N,N-di(propan-2-yl)piperidin-4-amine
SMILESCC(C)N(C(C)C)C1CCN(C)CC1F
InChIInChI=1S/C12H25FN2/c1-9(2)15(10(3)4)12-6-7-14(5)8-11(12)13/h9-12H,6-8H2,1-5H3
InChIKeyHPJMTOJGXVKEJU-UHFFFAOYSA-N
XLogP2.15
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.34
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-methyl-N,N-di(propan-2-yl)piperidin-4-amine?
The IUPAC name of 3-fluoro-1-methyl-N,N-di(propan-2-yl)piperidin-4-amine (CID 59289547) is 3-fluoro-1-methyl-N,N-di(propan-2-yl)piperidin-4-amine.
What is the SMILES notation for 3-fluoro-1-methyl-N,N-di(propan-2-yl)piperidin-4-amine?
The canonical SMILES for 3-fluoro-1-methyl-N,N-di(propan-2-yl)piperidin-4-amine is CC(C)N(C(C)C)C1CCN(C)CC1F.
What is the InChIKey of 3-fluoro-1-methyl-N,N-di(propan-2-yl)piperidin-4-amine?
The InChIKey is HPJMTOJGXVKEJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25FN2/c1-9(2)15(10(3)4)12-6-7-14(5)8-11(12)13/h9-12H,6-8H2,1-5H3.
What are the key properties of 3-fluoro-1-methyl-N,N-di(propan-2-yl)piperidin-4-amine?
3-fluoro-1-methyl-N,N-di(propan-2-yl)piperidin-4-amine has a molecular weight of 216.34 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-methyl-N,N-di(propan-2-yl)piperidin-4-amine is sourced from PubChem (CID 59289547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).