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

C13H25F3N2 — CID 55085650

IUPACN-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]pentan-2-amine
SMILESCCCC(C)NCCN1CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H25F3N2/c1-3-5-11(2)17-7-9-18-8-4-6-12(10-18)13(14,15)16/h11-12,17H,3-10H2,1-2H3
InChIKeyMNAREYVWRDGBDA-UHFFFAOYSA-N
MW266.35 g/mol
LogP3.04
Rot. Bonds6

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

N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]pentan-2-amine (PubChem CID 55085650) has the molecular formula C13H25F3N2 and a molecular weight of 266.35 g/mol. Its IUPAC name is N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]pentan-2-amine.

Molecular Properties

Compound NameN-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]pentan-2-amine
PubChem CID55085650
Molecular FormulaC13H25F3N2
Molecular Weight266.35 g/mol
Exact Mass266.20
IUPAC NameN-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]pentan-2-amine
SMILESCCCC(C)NCCN1CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H25F3N2/c1-3-5-11(2)17-7-9-18-8-4-6-12(10-18)13(14,15)16/h11-12,17H,3-10H2,1-2H3
InChIKeyMNAREYVWRDGBDA-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 N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]pentan-2-amine?
The IUPAC name of N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]pentan-2-amine (CID 55085650) is N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]pentan-2-amine.
What is the SMILES notation for N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]pentan-2-amine?
The canonical SMILES for N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]pentan-2-amine is CCCC(C)NCCN1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]pentan-2-amine?
The InChIKey is MNAREYVWRDGBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2/c1-3-5-11(2)17-7-9-18-8-4-6-12(10-18)13(14,15)16/h11-12,17H,3-10H2,1-2H3.
What are the key properties of N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]pentan-2-amine?
N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]pentan-2-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 N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]pentan-2-amine is sourced from PubChem (CID 55085650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).