N-[2-[3-(trifluoromethyl)piperidin-1-yl]propyl]pentan-3-amine

C14H27F3N2 — CID 55088843

IUPACN-[2-[3-(trifluoromethyl)piperidin-1-yl]propyl]pentan-3-amine
SMILESCCC(CC)NCC(C)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H27F3N2/c1-4-13(5-2)18-9-11(3)19-8-6-7-12(10-19)14(15,16)17/h11-13,18H,4-10H2,1-3H3
InChIKeyXTCHXZBQENADHY-UHFFFAOYSA-N
MW280.38 g/mol
LogP3.43
Rot. Bonds6

About N-[2-[3-(trifluoromethyl)piperidin-1-yl]propyl]pentan-3-amine

N-[2-[3-(trifluoromethyl)piperidin-1-yl]propyl]pentan-3-amine (PubChem CID 55088843) has the molecular formula C14H27F3N2 and a molecular weight of 280.38 g/mol. Its IUPAC name is N-[2-[3-(trifluoromethyl)piperidin-1-yl]propyl]pentan-3-amine.

Molecular Properties

Compound NameN-[2-[3-(trifluoromethyl)piperidin-1-yl]propyl]pentan-3-amine
PubChem CID55088843
Molecular FormulaC14H27F3N2
Molecular Weight280.38 g/mol
Exact Mass280.21
IUPAC NameN-[2-[3-(trifluoromethyl)piperidin-1-yl]propyl]pentan-3-amine
SMILESCCC(CC)NCC(C)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H27F3N2/c1-4-13(5-2)18-9-11(3)19-8-6-7-12(10-19)14(15,16)17/h11-13,18H,4-10H2,1-3H3
InChIKeyXTCHXZBQENADHY-UHFFFAOYSA-N
XLogP3.43
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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-[2-[3-(trifluoromethyl)piperidin-1-yl]propyl]pentan-3-amine?
The IUPAC name of N-[2-[3-(trifluoromethyl)piperidin-1-yl]propyl]pentan-3-amine (CID 55088843) is N-[2-[3-(trifluoromethyl)piperidin-1-yl]propyl]pentan-3-amine.
What is the SMILES notation for N-[2-[3-(trifluoromethyl)piperidin-1-yl]propyl]pentan-3-amine?
The canonical SMILES for N-[2-[3-(trifluoromethyl)piperidin-1-yl]propyl]pentan-3-amine is CCC(CC)NCC(C)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-[2-[3-(trifluoromethyl)piperidin-1-yl]propyl]pentan-3-amine?
The InChIKey is XTCHXZBQENADHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F3N2/c1-4-13(5-2)18-9-11(3)19-8-6-7-12(10-19)14(15,16)17/h11-13,18H,4-10H2,1-3H3.
What are the key properties of N-[2-[3-(trifluoromethyl)piperidin-1-yl]propyl]pentan-3-amine?
N-[2-[3-(trifluoromethyl)piperidin-1-yl]propyl]pentan-3-amine has a molecular weight of 280.38 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(trifluoromethyl)piperidin-1-yl]propyl]pentan-3-amine is sourced from PubChem (CID 55088843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).