1-[(6-chloro-3-pyridinyl)methyl]piperidin-2-imine

C11H14ClN3 — CID 10176882

IUPAC1-[(6-chloro-3-pyridinyl)methyl]piperidin-2-imine
SMILES[H]/N=C1\CCCCN1Cc1ccc(Cl)nc1
InChIInChI=1S/C11H14ClN3/c12-10-5-4-9(7-14-10)8-15-6-2-1-3-11(15)13/h4-5,7,13H,1-3,6,8H2/b13-11+
InChIKeyBZBKFJZCNDCRSW-ACCUITESSA-N
MW223.71 g/mol
LogP2.70
Rot. Bonds2

About 1-[(6-chloro-3-pyridinyl)methyl]piperidin-2-imine

1-[(6-chloro-3-pyridinyl)methyl]piperidin-2-imine (PubChem CID 10176882) has the molecular formula C11H14ClN3 and a molecular weight of 223.71 g/mol. Its IUPAC name is 1-[(6-chloro-3-pyridinyl)methyl]piperidin-2-imine.

Molecular Properties

Compound Name1-[(6-chloro-3-pyridinyl)methyl]piperidin-2-imine
PubChem CID10176882
Molecular FormulaC11H14ClN3
Molecular Weight223.71 g/mol
Exact Mass223.09
IUPAC Name1-[(6-chloro-3-pyridinyl)methyl]piperidin-2-imine
SMILES[H]/N=C1\CCCCN1Cc1ccc(Cl)nc1
InChIInChI=1S/C11H14ClN3/c12-10-5-4-9(7-14-10)8-15-6-2-1-3-11(15)13/h4-5,7,13H,1-3,6,8H2/b13-11+
InChIKeyBZBKFJZCNDCRSW-ACCUITESSA-N
XLogP2.70
TPSA39.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.71
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1-[(6-chloro-3-pyridinyl)methyl]piperidin-2-imine 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-((6-Chloro-3-pyridinyl)methyl)-N'-cyano-N-methylethanimidamide
CID 213021
Desnitro-imidacloprid
CID 10130527
Acetamiprid metabolite (IM-1-5)
CID 19967186
1H-Imidazol-2-amine, 1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydro-N-nitroso-
CID 183033
6-Chloro-N-methyl-3-pyridinemethanamine
CID 11094883
3-[(6-Chloropyridin-3-yl)methyl]-1,3-thiazolidin-2-imine
CID 9859386
(E)-N-((6-chloropyridin-3-yl)methyl)-N'-cyanoethanimidamide
CID 11344811
2-Chloro-5-methyl-pyridine
CID 581393
5-(Aminomethyl)-2-chloropyridine
CID 7020927
(2-Chloropyridin-4-yl)methanamine
CID 2794167
4-chloro-N-(pyridin-3-ylmethyl)aniline
CID 2804545
(NZ)-N-[3-[(6-chloro-3-pyridinyl)methyl]-1H-imidazol-2-ylidene]nitramide
CID 136866805

Frequently Asked Questions

What is the IUPAC name of 1-[(6-chloro-3-pyridinyl)methyl]piperidin-2-imine?
The IUPAC name of 1-[(6-chloro-3-pyridinyl)methyl]piperidin-2-imine (CID 10176882) is 1-[(6-chloro-3-pyridinyl)methyl]piperidin-2-imine.
What is the SMILES notation for 1-[(6-chloro-3-pyridinyl)methyl]piperidin-2-imine?
The canonical SMILES for 1-[(6-chloro-3-pyridinyl)methyl]piperidin-2-imine is [H]/N=C1\CCCCN1Cc1ccc(Cl)nc1.
What is the InChIKey of 1-[(6-chloro-3-pyridinyl)methyl]piperidin-2-imine?
The InChIKey is BZBKFJZCNDCRSW-ACCUITESSA-N. The full InChI is InChI=1S/C11H14ClN3/c12-10-5-4-9(7-14-10)8-15-6-2-1-3-11(15)13/h4-5,7,13H,1-3,6,8H2/b13-11+.
What are the key properties of 1-[(6-chloro-3-pyridinyl)methyl]piperidin-2-imine?
1-[(6-chloro-3-pyridinyl)methyl]piperidin-2-imine has a molecular weight of 223.71 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-chloro-3-pyridinyl)methyl]piperidin-2-imine is sourced from PubChem (CID 10176882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).