3-[4-(2,2-difluoro-5-methylhexyl)piperidin-1-yl]-N-propan-2-ylprop-1-en-2-amine

C18H34F2N2 — CID 170569223

IUPAC3-[4-(2,2-difluoro-5-methylhexyl)piperidin-1-yl]-N-propan-2-ylprop-1-en-2-amine
SMILESC=C(CN1CCC(CC(F)(F)CCC(C)C)CC1)NC(C)C
InChIInChI=1S/C18H34F2N2/c1-14(2)6-9-18(19,20)12-17-7-10-22(11-8-17)13-16(5)21-15(3)4/h14-15,17,21H,5-13H2,1-4H3
InChIKeyCDBATWNKCXYBIU-UHFFFAOYSA-N
MW316.48 g/mol
LogP4.67
Rot. Bonds9

About 3-[4-(2,2-difluoro-5-methylhexyl)piperidin-1-yl]-N-propan-2-ylprop-1-en-2-amine

3-[4-(2,2-difluoro-5-methylhexyl)piperidin-1-yl]-N-propan-2-ylprop-1-en-2-amine (PubChem CID 170569223) has the molecular formula C18H34F2N2 and a molecular weight of 316.48 g/mol. Its IUPAC name is 3-[4-(2,2-difluoro-5-methylhexyl)piperidin-1-yl]-N-propan-2-ylprop-1-en-2-amine.

Molecular Properties

Compound Name3-[4-(2,2-difluoro-5-methylhexyl)piperidin-1-yl]-N-propan-2-ylprop-1-en-2-amine
PubChem CID170569223
Molecular FormulaC18H34F2N2
Molecular Weight316.48 g/mol
Exact Mass316.27
IUPAC Name3-[4-(2,2-difluoro-5-methylhexyl)piperidin-1-yl]-N-propan-2-ylprop-1-en-2-amine
SMILESC=C(CN1CCC(CC(F)(F)CCC(C)C)CC1)NC(C)C
InChIInChI=1S/C18H34F2N2/c1-14(2)6-9-18(19,20)12-17-7-10-22(11-8-17)13-16(5)21-15(3)4/h14-15,17,21H,5-13H2,1-4H3
InChIKeyCDBATWNKCXYBIU-UHFFFAOYSA-N
XLogP4.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.48
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,2-difluoro-5-methylhexyl)piperidin-1-yl]-N-propan-2-ylprop-1-en-2-amine?
The IUPAC name of 3-[4-(2,2-difluoro-5-methylhexyl)piperidin-1-yl]-N-propan-2-ylprop-1-en-2-amine (CID 170569223) is 3-[4-(2,2-difluoro-5-methylhexyl)piperidin-1-yl]-N-propan-2-ylprop-1-en-2-amine.
What is the SMILES notation for 3-[4-(2,2-difluoro-5-methylhexyl)piperidin-1-yl]-N-propan-2-ylprop-1-en-2-amine?
The canonical SMILES for 3-[4-(2,2-difluoro-5-methylhexyl)piperidin-1-yl]-N-propan-2-ylprop-1-en-2-amine is C=C(CN1CCC(CC(F)(F)CCC(C)C)CC1)NC(C)C.
What is the InChIKey of 3-[4-(2,2-difluoro-5-methylhexyl)piperidin-1-yl]-N-propan-2-ylprop-1-en-2-amine?
The InChIKey is CDBATWNKCXYBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34F2N2/c1-14(2)6-9-18(19,20)12-17-7-10-22(11-8-17)13-16(5)21-15(3)4/h14-15,17,21H,5-13H2,1-4H3.
What are the key properties of 3-[4-(2,2-difluoro-5-methylhexyl)piperidin-1-yl]-N-propan-2-ylprop-1-en-2-amine?
3-[4-(2,2-difluoro-5-methylhexyl)piperidin-1-yl]-N-propan-2-ylprop-1-en-2-amine has a molecular weight of 316.48 g/mol, XLogP of 4.67, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,2-difluoro-5-methylhexyl)piperidin-1-yl]-N-propan-2-ylprop-1-en-2-amine is sourced from PubChem (CID 170569223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).