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

C11H23FN2 — CID 59304230

IUPAC3-fluoro-N,1-di(propan-2-yl)piperidin-4-amine
SMILESCC(C)NC1CCN(C(C)C)CC1F
InChIInChI=1S/C11H23FN2/c1-8(2)13-11-5-6-14(9(3)4)7-10(11)12/h8-11,13H,5-7H2,1-4H3
InChIKeyNYMZHNUYOYVDML-UHFFFAOYSA-N
MW202.32 g/mol
LogP1.81
Rot. Bonds3

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

3-fluoro-N,1-di(propan-2-yl)piperidin-4-amine (PubChem CID 59304230) has the molecular formula C11H23FN2 and a molecular weight of 202.32 g/mol. Its IUPAC name is 3-fluoro-N,1-di(propan-2-yl)piperidin-4-amine.

Molecular Properties

Compound Name3-fluoro-N,1-di(propan-2-yl)piperidin-4-amine
PubChem CID59304230
Molecular FormulaC11H23FN2
Molecular Weight202.32 g/mol
Exact Mass202.18
IUPAC Name3-fluoro-N,1-di(propan-2-yl)piperidin-4-amine
SMILESCC(C)NC1CCN(C(C)C)CC1F
InChIInChI=1S/C11H23FN2/c1-8(2)13-11-5-6-14(9(3)4)7-10(11)12/h8-11,13H,5-7H2,1-4H3
InChIKeyNYMZHNUYOYVDML-UHFFFAOYSA-N
XLogP1.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N,1-di(propan-2-yl)piperidin-4-amine?
The IUPAC name of 3-fluoro-N,1-di(propan-2-yl)piperidin-4-amine (CID 59304230) is 3-fluoro-N,1-di(propan-2-yl)piperidin-4-amine.
What is the SMILES notation for 3-fluoro-N,1-di(propan-2-yl)piperidin-4-amine?
The canonical SMILES for 3-fluoro-N,1-di(propan-2-yl)piperidin-4-amine is CC(C)NC1CCN(C(C)C)CC1F.
What is the InChIKey of 3-fluoro-N,1-di(propan-2-yl)piperidin-4-amine?
The InChIKey is NYMZHNUYOYVDML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23FN2/c1-8(2)13-11-5-6-14(9(3)4)7-10(11)12/h8-11,13H,5-7H2,1-4H3.
What are the key properties of 3-fluoro-N,1-di(propan-2-yl)piperidin-4-amine?
3-fluoro-N,1-di(propan-2-yl)piperidin-4-amine has a molecular weight of 202.32 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N,1-di(propan-2-yl)piperidin-4-amine is sourced from PubChem (CID 59304230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).