N-(2,4,5-trifluorophenyl)piperidin-3-amine

C11H13F3N2 — CID 62814853

IUPACN-(2,4,5-trifluorophenyl)piperidin-3-amine
SMILESFc1cc(F)c(NC2CCCNC2)cc1F
InChIInChI=1S/C11H13F3N2/c12-8-4-10(14)11(5-9(8)13)16-7-2-1-3-15-6-7/h4-5,7,15-16H,1-3,6H2
InChIKeyQNXADYIPIIFJJZ-UHFFFAOYSA-N
MW230.23 g/mol
LogP2.27
Rot. Bonds2

About N-(2,4,5-trifluorophenyl)piperidin-3-amine

N-(2,4,5-trifluorophenyl)piperidin-3-amine (PubChem CID 62814853) has the molecular formula C11H13F3N2 and a molecular weight of 230.23 g/mol. Its IUPAC name is N-(2,4,5-trifluorophenyl)piperidin-3-amine.

Molecular Properties

Compound NameN-(2,4,5-trifluorophenyl)piperidin-3-amine
PubChem CID62814853
Molecular FormulaC11H13F3N2
Molecular Weight230.23 g/mol
Exact Mass230.10
IUPAC NameN-(2,4,5-trifluorophenyl)piperidin-3-amine
SMILESFc1cc(F)c(NC2CCCNC2)cc1F
InChIInChI=1S/C11H13F3N2/c12-8-4-10(14)11(5-9(8)13)16-7-2-1-3-15-6-7/h4-5,7,15-16H,1-3,6H2
InChIKeyQNXADYIPIIFJJZ-UHFFFAOYSA-N
XLogP2.27
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze N-(2,4,5-trifluorophenyl)piperidin-3-amine with MolForge

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

Launch Full Analysis

Related Compounds

N-(4-bromo-2,6-difluorophenyl)piperidin-3-amine
CID 65468689
N-(2,4-difluorophenyl)pyrrolidin-3-amine
CID 66545630
N-(2,5-difluorophenyl)pyrrolidin-3-amine
CID 79737094
N-[2-bromo-4-(fluoromethyl)phenyl]piperidin-3-amine
CID 115052418
N-(4-bromo-2-fluorophenyl)azepan-4-amine
CID 103980423
N-(5-bromo-2-chlorophenyl)piperidin-3-amine
CID 62913938
(3R)-N-(4-bromophenyl)piperidin-3-amine
CID 167150993
N-(1H-pyrrol-3-yl)piperidin-3-amine
CID 83695048
N-[4-(difluoromethyl)-2-(trifluoromethyl)phenyl]piperidin-3-amine
CID 115053273
4-methyl-3-(piperidin-3-ylamino)benzonitrile
CID 62103565
2,5-difluoro-4-methyl-N-(piperidin-3-ylmethyl)aniline
CID 103584964
N-[2-fluoro-5-(trifluoromethyl)phenyl]pyrrolidin-3-amine
CID 79741047

Frequently Asked Questions

What is the IUPAC name of N-(2,4,5-trifluorophenyl)piperidin-3-amine?
The IUPAC name of N-(2,4,5-trifluorophenyl)piperidin-3-amine (CID 62814853) is N-(2,4,5-trifluorophenyl)piperidin-3-amine.
What is the SMILES notation for N-(2,4,5-trifluorophenyl)piperidin-3-amine?
The canonical SMILES for N-(2,4,5-trifluorophenyl)piperidin-3-amine is Fc1cc(F)c(NC2CCCNC2)cc1F.
What is the InChIKey of N-(2,4,5-trifluorophenyl)piperidin-3-amine?
The InChIKey is QNXADYIPIIFJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2/c12-8-4-10(14)11(5-9(8)13)16-7-2-1-3-15-6-7/h4-5,7,15-16H,1-3,6H2.
What are the key properties of N-(2,4,5-trifluorophenyl)piperidin-3-amine?
N-(2,4,5-trifluorophenyl)piperidin-3-amine has a molecular weight of 230.23 g/mol, XLogP of 2.27, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4,5-trifluorophenyl)piperidin-3-amine is sourced from PubChem (CID 62814853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).