N-[(3-propylpiperidin-3-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine

C14H27F3N2 — CID 55164716

IUPACN-[(3-propylpiperidin-3-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCCCN(CC(F)(F)F)CC1(CCC)CCCNC1
InChIInChI=1S/C14H27F3N2/c1-3-6-13(7-5-8-18-10-13)11-19(9-4-2)12-14(15,16)17/h18H,3-12H2,1-2H3
InChIKeyDFFSMWVRZAPLLG-UHFFFAOYSA-N
MW280.38 g/mol
LogP3.43
Rot. Bonds7

About N-[(3-propylpiperidin-3-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine

N-[(3-propylpiperidin-3-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 55164716) has the molecular formula C14H27F3N2 and a molecular weight of 280.38 g/mol. Its IUPAC name is N-[(3-propylpiperidin-3-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine.

Molecular Properties

Compound NameN-[(3-propylpiperidin-3-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
PubChem CID55164716
Molecular FormulaC14H27F3N2
Molecular Weight280.38 g/mol
Exact Mass280.21
IUPAC NameN-[(3-propylpiperidin-3-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCCCN(CC(F)(F)F)CC1(CCC)CCCNC1
InChIInChI=1S/C14H27F3N2/c1-3-6-13(7-5-8-18-10-13)11-19(9-4-2)12-14(15,16)17/h18H,3-12H2,1-2H3
InChIKeyDFFSMWVRZAPLLG-UHFFFAOYSA-N
XLogP3.43
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3-propylpiperidin-3-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine?
The IUPAC name of N-[(3-propylpiperidin-3-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine (CID 55164716) is N-[(3-propylpiperidin-3-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for N-[(3-propylpiperidin-3-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for N-[(3-propylpiperidin-3-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine is CCCN(CC(F)(F)F)CC1(CCC)CCCNC1.
What is the InChIKey of N-[(3-propylpiperidin-3-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is DFFSMWVRZAPLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F3N2/c1-3-6-13(7-5-8-18-10-13)11-19(9-4-2)12-14(15,16)17/h18H,3-12H2,1-2H3.
What are the key properties of N-[(3-propylpiperidin-3-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine?
N-[(3-propylpiperidin-3-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine has a molecular weight of 280.38 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-propylpiperidin-3-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine is sourced from PubChem (CID 55164716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).