2-(4-propylpiperidin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine

C13H25F3N2 — CID 55087361

IUPAC2-(4-propylpiperidin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCCCC1CCN(C(C)CNCC(F)(F)F)CC1
InChIInChI=1S/C13H25F3N2/c1-3-4-12-5-7-18(8-6-12)11(2)9-17-10-13(14,15)16/h11-12,17H,3-10H2,1-2H3
InChIKeyNEXLCMYMWKCENH-UHFFFAOYSA-N
MW266.35 g/mol
LogP3.04
Rot. Bonds6

About 2-(4-propylpiperidin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine

2-(4-propylpiperidin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 55087361) has the molecular formula C13H25F3N2 and a molecular weight of 266.35 g/mol. Its IUPAC name is 2-(4-propylpiperidin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine.

Molecular Properties

Compound Name2-(4-propylpiperidin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
PubChem CID55087361
Molecular FormulaC13H25F3N2
Molecular Weight266.35 g/mol
Exact Mass266.20
IUPAC Name2-(4-propylpiperidin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCCCC1CCN(C(C)CNCC(F)(F)F)CC1
InChIInChI=1S/C13H25F3N2/c1-3-4-12-5-7-18(8-6-12)11(2)9-17-10-13(14,15)16/h11-12,17H,3-10H2,1-2H3
InChIKeyNEXLCMYMWKCENH-UHFFFAOYSA-N
XLogP3.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-propylpiperidin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The IUPAC name of 2-(4-propylpiperidin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine (CID 55087361) is 2-(4-propylpiperidin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for 2-(4-propylpiperidin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for 2-(4-propylpiperidin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine is CCCC1CCN(C(C)CNCC(F)(F)F)CC1.
What is the InChIKey of 2-(4-propylpiperidin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is NEXLCMYMWKCENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2/c1-3-4-12-5-7-18(8-6-12)11(2)9-17-10-13(14,15)16/h11-12,17H,3-10H2,1-2H3.
What are the key properties of 2-(4-propylpiperidin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
2-(4-propylpiperidin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine has a molecular weight of 266.35 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propylpiperidin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine is sourced from PubChem (CID 55087361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).