3,5,6-trichloro-N-(2-piperidin-1-ylethyl)pyridin-2-amine

C12H16Cl3N3 — CID 102750717

IUPAC3,5,6-trichloro-N-(2-piperidin-1-ylethyl)pyridin-2-amine
SMILESClc1cc(Cl)c(NCCN2CCCCC2)nc1Cl
InChIInChI=1S/C12H16Cl3N3/c13-9-8-10(14)12(17-11(9)15)16-4-7-18-5-2-1-3-6-18/h8H,1-7H2,(H,16,17)
InChIKeyHJRFDUMGNVFGEH-UHFFFAOYSA-N
MW308.64 g/mol
LogP3.94
Rot. Bonds4

About 3,5,6-trichloro-N-(2-piperidin-1-ylethyl)pyridin-2-amine

3,5,6-trichloro-N-(2-piperidin-1-ylethyl)pyridin-2-amine (PubChem CID 102750717) has the molecular formula C12H16Cl3N3 and a molecular weight of 308.64 g/mol. Its IUPAC name is 3,5,6-trichloro-N-(2-piperidin-1-ylethyl)pyridin-2-amine.

Molecular Properties

Compound Name3,5,6-trichloro-N-(2-piperidin-1-ylethyl)pyridin-2-amine
PubChem CID102750717
Molecular FormulaC12H16Cl3N3
Molecular Weight308.64 g/mol
Exact Mass307.04
IUPAC Name3,5,6-trichloro-N-(2-piperidin-1-ylethyl)pyridin-2-amine
SMILESClc1cc(Cl)c(NCCN2CCCCC2)nc1Cl
InChIInChI=1S/C12H16Cl3N3/c13-9-8-10(14)12(17-11(9)15)16-4-7-18-5-2-1-3-6-18/h8H,1-7H2,(H,16,17)
InChIKeyHJRFDUMGNVFGEH-UHFFFAOYSA-N
XLogP3.94
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.64
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3,5-dichloro-2-N-ethyl-6-N-(2-pyrrolidin-1-ylethyl)pyridine-2,6-diamine
CID 102757956
N-[2-(azepan-1-yl)ethyl]-5-bromo-3-chloropyridin-2-amine
CID 103582430
3-chloro-N-(2-pyrrolidin-1-ylethyl)pyrazin-2-amine
CID 62634309
N-[2-(azepan-1-yl)ethyl]-3-chloropyridin-2-amine
CID 61241551
1-piperidin-1-yl-2-[(3,5,6-trichloro-2-pyridinyl)amino]ethanone
CID 102751793
N-[2-(azepan-1-yl)ethyl]-4-chloro-1,2,5-thiadiazol-3-amine
CID 106194013
3,5-dichloro-6-N-(2-morpholin-4-ylethyl)pyridine-2,6-diamine
CID 102755704
3,4-dichloro-N-(2-pyrrolidin-1-ylethyl)aniline
CID 82089741
6-chloro-2-ethyl-5-methyl-N-(2-piperidin-1-ylethyl)pyrimidin-4-amine
CID 79557700
6-chloro-2-N-(2-pyrrolidin-1-ylethyl)pyridine-2,3-diamine
CID 24903988
N-but-3-enyl-3,5,6-trichloropyridin-2-amine
CID 106196171
4-[2-(azepan-1-yl)ethylamino]-6-chloropyrimidine-5-carbaldehyde
CID 106193990

Frequently Asked Questions

What is the IUPAC name of 3,5,6-trichloro-N-(2-piperidin-1-ylethyl)pyridin-2-amine?
The IUPAC name of 3,5,6-trichloro-N-(2-piperidin-1-ylethyl)pyridin-2-amine (CID 102750717) is 3,5,6-trichloro-N-(2-piperidin-1-ylethyl)pyridin-2-amine.
What is the SMILES notation for 3,5,6-trichloro-N-(2-piperidin-1-ylethyl)pyridin-2-amine?
The canonical SMILES for 3,5,6-trichloro-N-(2-piperidin-1-ylethyl)pyridin-2-amine is Clc1cc(Cl)c(NCCN2CCCCC2)nc1Cl.
What is the InChIKey of 3,5,6-trichloro-N-(2-piperidin-1-ylethyl)pyridin-2-amine?
The InChIKey is HJRFDUMGNVFGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl3N3/c13-9-8-10(14)12(17-11(9)15)16-4-7-18-5-2-1-3-6-18/h8H,1-7H2,(H,16,17).
What are the key properties of 3,5,6-trichloro-N-(2-piperidin-1-ylethyl)pyridin-2-amine?
3,5,6-trichloro-N-(2-piperidin-1-ylethyl)pyridin-2-amine has a molecular weight of 308.64 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6-trichloro-N-(2-piperidin-1-ylethyl)pyridin-2-amine is sourced from PubChem (CID 102750717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).