N-cyclopropyl-1-(2,2-difluoroethyl)-N-propan-2-ylpiperidin-4-amine

C13H24F2N2 — CID 59289565

IUPACN-cyclopropyl-1-(2,2-difluoroethyl)-N-propan-2-ylpiperidin-4-amine
SMILESCC(C)N(C1CC1)C1CCN(CC(F)F)CC1
InChIInChI=1S/C13H24F2N2/c1-10(2)17(11-3-4-11)12-5-7-16(8-6-12)9-13(14)15/h10-13H,3-9H2,1-2H3
InChIKeyKTOQEZRCJDJPDO-UHFFFAOYSA-N
MW246.34 g/mol
LogP2.59
Rot. Bonds5

About N-cyclopropyl-1-(2,2-difluoroethyl)-N-propan-2-ylpiperidin-4-amine

N-cyclopropyl-1-(2,2-difluoroethyl)-N-propan-2-ylpiperidin-4-amine (PubChem CID 59289565) has the molecular formula C13H24F2N2 and a molecular weight of 246.34 g/mol. Its IUPAC name is N-cyclopropyl-1-(2,2-difluoroethyl)-N-propan-2-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-1-(2,2-difluoroethyl)-N-propan-2-ylpiperidin-4-amine
PubChem CID59289565
Molecular FormulaC13H24F2N2
Molecular Weight246.34 g/mol
Exact Mass246.19
IUPAC NameN-cyclopropyl-1-(2,2-difluoroethyl)-N-propan-2-ylpiperidin-4-amine
SMILESCC(C)N(C1CC1)C1CCN(CC(F)F)CC1
InChIInChI=1S/C13H24F2N2/c1-10(2)17(11-3-4-11)12-5-7-16(8-6-12)9-13(14)15/h10-13H,3-9H2,1-2H3
InChIKeyKTOQEZRCJDJPDO-UHFFFAOYSA-N
XLogP2.59
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(2,2-difluoroethyl)-N-propan-2-ylpiperidin-4-amine?
The IUPAC name of N-cyclopropyl-1-(2,2-difluoroethyl)-N-propan-2-ylpiperidin-4-amine (CID 59289565) is N-cyclopropyl-1-(2,2-difluoroethyl)-N-propan-2-ylpiperidin-4-amine.
What is the SMILES notation for N-cyclopropyl-1-(2,2-difluoroethyl)-N-propan-2-ylpiperidin-4-amine?
The canonical SMILES for N-cyclopropyl-1-(2,2-difluoroethyl)-N-propan-2-ylpiperidin-4-amine is CC(C)N(C1CC1)C1CCN(CC(F)F)CC1.
What is the InChIKey of N-cyclopropyl-1-(2,2-difluoroethyl)-N-propan-2-ylpiperidin-4-amine?
The InChIKey is KTOQEZRCJDJPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F2N2/c1-10(2)17(11-3-4-11)12-5-7-16(8-6-12)9-13(14)15/h10-13H,3-9H2,1-2H3.
What are the key properties of N-cyclopropyl-1-(2,2-difluoroethyl)-N-propan-2-ylpiperidin-4-amine?
N-cyclopropyl-1-(2,2-difluoroethyl)-N-propan-2-ylpiperidin-4-amine has a molecular weight of 246.34 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(2,2-difluoroethyl)-N-propan-2-ylpiperidin-4-amine is sourced from PubChem (CID 59289565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).