N-chloro-1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-amine

C11H13ClF3N3 — CID 118054993

IUPACN-chloro-1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-amine
SMILESFC(F)(F)c1cc(N2CCC(NCl)CC2)ccn1
InChIInChI=1S/C11H13ClF3N3/c12-17-8-2-5-18(6-3-8)9-1-4-16-10(7-9)11(13,14)15/h1,4,7-8,17H,2-3,5-6H2
InChIKeyRCNBAWXWKRXBEB-UHFFFAOYSA-N
MW279.69 g/mol
LogP2.81
Rot. Bonds2

About N-chloro-1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-amine

N-chloro-1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-amine (PubChem CID 118054993) has the molecular formula C11H13ClF3N3 and a molecular weight of 279.69 g/mol. Its IUPAC name is N-chloro-1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-amine.

Molecular Properties

Compound NameN-chloro-1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-amine
PubChem CID118054993
Molecular FormulaC11H13ClF3N3
Molecular Weight279.69 g/mol
Exact Mass279.08
IUPAC NameN-chloro-1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-amine
SMILESFC(F)(F)c1cc(N2CCC(NCl)CC2)ccn1
InChIInChI=1S/C11H13ClF3N3/c12-17-8-2-5-18(6-3-8)9-1-4-16-10(7-9)11(13,14)15/h1,4,7-8,17H,2-3,5-6H2
InChIKeyRCNBAWXWKRXBEB-UHFFFAOYSA-N
XLogP2.81
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.69
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-chloro-1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-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

[1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]carbamic acid
CID 67341843
tert-butyl N-[1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]carbamate
CID 67342449
1-phenyl-4-[2-(trifluoromethyl)-4-pyridinyl]piperazine
CID 175649905
4-[1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]morpholine
CID 171691128
1-[2-(trifluoromethyl)-4-pyridinyl]piperazine;dihydrochloride
CID 154825576
3-methyl-8-[2-(trifluoromethyl)-4-pyridinyl]-8-azaspiro[4.5]decane
CID 91080290
2-[4-[2-(trifluoromethyl)-4-pyridinyl]piperazin-1-yl]ethanol
CID 171701811
(2S,6R)-2,6-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]morpholine
CID 155974206
tert-butyl-[1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-3-yl]carbamic acid
CID 155168237
2-chloro-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine
CID 103757124
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-[1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]ethanone
CID 172891519
3-chloro-4-[1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-3-yl]oxypyridine
CID 166605932

Frequently Asked Questions

What is the IUPAC name of N-chloro-1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-amine?
The IUPAC name of N-chloro-1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-amine (CID 118054993) is N-chloro-1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-amine.
What is the SMILES notation for N-chloro-1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-amine?
The canonical SMILES for N-chloro-1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-amine is FC(F)(F)c1cc(N2CCC(NCl)CC2)ccn1.
What is the InChIKey of N-chloro-1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-amine?
The InChIKey is RCNBAWXWKRXBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF3N3/c12-17-8-2-5-18(6-3-8)9-1-4-16-10(7-9)11(13,14)15/h1,4,7-8,17H,2-3,5-6H2.
What are the key properties of N-chloro-1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-amine?
N-chloro-1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-amine has a molecular weight of 279.69 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-amine is sourced from PubChem (CID 118054993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).