N-[2-(3,3-difluoropiperidin-1-yl)ethyl]propan-2-amine

C10H20F2N2 — CID 116991307

IUPACN-[2-(3,3-difluoropiperidin-1-yl)ethyl]propan-2-amine
SMILESCC(C)NCCN1CCCC(F)(F)C1
InChIInChI=1S/C10H20F2N2/c1-9(2)13-5-7-14-6-3-4-10(11,12)8-14/h9,13H,3-8H2,1-2H3
InChIKeyZOVCXCCJGCVWIC-UHFFFAOYSA-N
MW206.28 g/mol
LogP1.72
Rot. Bonds4

About N-[2-(3,3-difluoropiperidin-1-yl)ethyl]propan-2-amine

N-[2-(3,3-difluoropiperidin-1-yl)ethyl]propan-2-amine (PubChem CID 116991307) has the molecular formula C10H20F2N2 and a molecular weight of 206.28 g/mol. Its IUPAC name is N-[2-(3,3-difluoropiperidin-1-yl)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(3,3-difluoropiperidin-1-yl)ethyl]propan-2-amine
PubChem CID116991307
Molecular FormulaC10H20F2N2
Molecular Weight206.28 g/mol
Exact Mass206.16
IUPAC NameN-[2-(3,3-difluoropiperidin-1-yl)ethyl]propan-2-amine
SMILESCC(C)NCCN1CCCC(F)(F)C1
InChIInChI=1S/C10H20F2N2/c1-9(2)13-5-7-14-6-3-4-10(11,12)8-14/h9,13H,3-8H2,1-2H3
InChIKeyZOVCXCCJGCVWIC-UHFFFAOYSA-N
XLogP1.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,3-difluoropiperidin-1-yl)ethyl]propan-2-amine?
The IUPAC name of N-[2-(3,3-difluoropiperidin-1-yl)ethyl]propan-2-amine (CID 116991307) is N-[2-(3,3-difluoropiperidin-1-yl)ethyl]propan-2-amine.
What is the SMILES notation for N-[2-(3,3-difluoropiperidin-1-yl)ethyl]propan-2-amine?
The canonical SMILES for N-[2-(3,3-difluoropiperidin-1-yl)ethyl]propan-2-amine is CC(C)NCCN1CCCC(F)(F)C1.
What is the InChIKey of N-[2-(3,3-difluoropiperidin-1-yl)ethyl]propan-2-amine?
The InChIKey is ZOVCXCCJGCVWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F2N2/c1-9(2)13-5-7-14-6-3-4-10(11,12)8-14/h9,13H,3-8H2,1-2H3.
What are the key properties of N-[2-(3,3-difluoropiperidin-1-yl)ethyl]propan-2-amine?
N-[2-(3,3-difluoropiperidin-1-yl)ethyl]propan-2-amine has a molecular weight of 206.28 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,3-difluoropiperidin-1-yl)ethyl]propan-2-amine is sourced from PubChem (CID 116991307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).