N-(3-piperidin-1-ylpropoxy)pyridine-3-carboximidoyl chloride;dihydrochloride

C14H22Cl3N3O — CID 73462266

IUPACN-(3-piperidin-1-ylpropoxy)pyridine-3-carboximidoyl chloride;dihydrochloride
SMILESCl.Cl.ClC(=NOCCCN1CCCCC1)c1cccnc1
InChIInChI=1S/C14H20ClN3O.2ClH/c15-14(13-6-4-7-16-12-13)17-19-11-5-10-18-8-2-1-3-9-18;;/h4,6-7,12H,1-3,5,8-11H2;2*1H
InChIKeyHPJXQKQVNBUUPC-UHFFFAOYSA-N
MW354.71 g/mol
LogP3.72
Rot. Bonds6

About N-(3-piperidin-1-ylpropoxy)pyridine-3-carboximidoyl chloride;dihydrochloride

N-(3-piperidin-1-ylpropoxy)pyridine-3-carboximidoyl chloride;dihydrochloride (PubChem CID 73462266) has the molecular formula C14H22Cl3N3O and a molecular weight of 354.71 g/mol. Its IUPAC name is N-(3-piperidin-1-ylpropoxy)pyridine-3-carboximidoyl chloride;dihydrochloride.

Molecular Properties

Compound NameN-(3-piperidin-1-ylpropoxy)pyridine-3-carboximidoyl chloride;dihydrochloride
PubChem CID73462266
Molecular FormulaC14H22Cl3N3O
Molecular Weight354.71 g/mol
Exact Mass353.08
IUPAC NameN-(3-piperidin-1-ylpropoxy)pyridine-3-carboximidoyl chloride;dihydrochloride
SMILESCl.Cl.ClC(=NOCCCN1CCCCC1)c1cccnc1
InChIInChI=1S/C14H20ClN3O.2ClH/c15-14(13-6-4-7-16-12-13)17-19-11-5-10-18-8-2-1-3-9-18;;/h4,6-7,12H,1-3,5,8-11H2;2*1H
InChIKeyHPJXQKQVNBUUPC-UHFFFAOYSA-N
XLogP3.72
TPSA37.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.71
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(3-piperidin-1-ylpropoxy)pyridine-3-carboximidamide;dihydrochloride
CID 87475486
[1-[(Z)-[chloro(pyridin-3-yl)methylidene]amino]oxy-3-piperidin-1-ylpropan-2-yl] benzoate
CID 87475056
but-2-enedioic acid;(3Z)-N-(2-hydroxy-3-piperidin-1-ylpropoxy)pyridine-3-carboximidoyl chloride
CID 87925320
N'-(2-chloro-3-piperidin-1-ylpropoxy)pyridine-3-carboximidamide
CID 57148724
N'-[(2R)-2-hydroxy-3-piperidin-1-ylpropoxy]pyridine-3-carboximidamide
CID 76956160
1,5-diphenyl-N-(3-pyrrolidin-1-ylpropoxy)pentan-1-imine
CID 173416034
3-(3-pyrrolidin-1-ylpropyl)pyridine
CID 70096862
3-nitro-N'-(3-piperidin-1-ylpropoxy)benzenecarboximidamide;hydrochloride
CID 18766249
N-[3-[C-phenyl-N-(3-piperidin-1-ylpropoxy)carbonimidoyl]phenyl]-3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxamide;dihydrochloride
CID 88503010
3-[2-(2-piperidin-1-ylethoxy)phenyl]-1-pyridin-3-ylprop-2-en-1-one
CID 4147644
4-[C-(4-phenylbutyl)-N-(3-piperidin-1-ylpropoxy)carbonimidoyl]phenol
CID 173415956
3-(2-pyrrolidin-1-ylethyl)pyridine
CID 23273673

Frequently Asked Questions

What is the IUPAC name of N-(3-piperidin-1-ylpropoxy)pyridine-3-carboximidoyl chloride;dihydrochloride?
The IUPAC name of N-(3-piperidin-1-ylpropoxy)pyridine-3-carboximidoyl chloride;dihydrochloride (CID 73462266) is N-(3-piperidin-1-ylpropoxy)pyridine-3-carboximidoyl chloride;dihydrochloride.
What is the SMILES notation for N-(3-piperidin-1-ylpropoxy)pyridine-3-carboximidoyl chloride;dihydrochloride?
The canonical SMILES for N-(3-piperidin-1-ylpropoxy)pyridine-3-carboximidoyl chloride;dihydrochloride is Cl.Cl.ClC(=NOCCCN1CCCCC1)c1cccnc1.
What is the InChIKey of N-(3-piperidin-1-ylpropoxy)pyridine-3-carboximidoyl chloride;dihydrochloride?
The InChIKey is HPJXQKQVNBUUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O.2ClH/c15-14(13-6-4-7-16-12-13)17-19-11-5-10-18-8-2-1-3-9-18;;/h4,6-7,12H,1-3,5,8-11H2;2*1H.
What are the key properties of N-(3-piperidin-1-ylpropoxy)pyridine-3-carboximidoyl chloride;dihydrochloride?
N-(3-piperidin-1-ylpropoxy)pyridine-3-carboximidoyl chloride;dihydrochloride has a molecular weight of 354.71 g/mol, XLogP of 3.72, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-piperidin-1-ylpropoxy)pyridine-3-carboximidoyl chloride;dihydrochloride is sourced from PubChem (CID 73462266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).