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

C14H25F3N2 — CID 79566049

IUPACN-methyl-2-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]cyclopentan-1-amine
SMILESCNC1CCCC1CCN1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H25F3N2/c1-18-13-6-2-4-11(13)7-9-19-8-3-5-12(10-19)14(15,16)17/h11-13,18H,2-10H2,1H3
InChIKeyKHNDIPUJRBUQTH-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.04
Rot. Bonds4

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

N-methyl-2-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]cyclopentan-1-amine (PubChem CID 79566049) has the molecular formula C14H25F3N2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-methyl-2-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]cyclopentan-1-amine.

Molecular Properties

Compound NameN-methyl-2-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]cyclopentan-1-amine
PubChem CID79566049
Molecular FormulaC14H25F3N2
Molecular Weight278.36 g/mol
Exact Mass278.20
IUPAC NameN-methyl-2-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]cyclopentan-1-amine
SMILESCNC1CCCC1CCN1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H25F3N2/c1-18-13-6-2-4-11(13)7-9-19-8-3-5-12(10-19)14(15,16)17/h11-13,18H,2-10H2,1H3
InChIKeyKHNDIPUJRBUQTH-UHFFFAOYSA-N
XLogP3.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-methyl-2-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]cyclopentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]cyclopentan-1-amine?
The IUPAC name of N-methyl-2-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]cyclopentan-1-amine (CID 79566049) is N-methyl-2-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]cyclopentan-1-amine.
What is the SMILES notation for N-methyl-2-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]cyclopentan-1-amine?
The canonical SMILES for N-methyl-2-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]cyclopentan-1-amine is CNC1CCCC1CCN1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-methyl-2-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]cyclopentan-1-amine?
The InChIKey is KHNDIPUJRBUQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2/c1-18-13-6-2-4-11(13)7-9-19-8-3-5-12(10-19)14(15,16)17/h11-13,18H,2-10H2,1H3.
What are the key properties of N-methyl-2-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]cyclopentan-1-amine?
N-methyl-2-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]cyclopentan-1-amine has a molecular weight of 278.36 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]cyclopentan-1-amine is sourced from PubChem (CID 79566049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).