N'-(3-piperidin-1-ylpropoxy)pyridine-3-carboximidamide;dihydrochloride

C14H24Cl2N4O — CID 87475486

IUPACN'-(3-piperidin-1-ylpropoxy)pyridine-3-carboximidamide;dihydrochloride
SMILESCl.Cl.N/C(=N\OCCCN1CCCCC1)c1cccnc1
InChIInChI=1S/C14H22N4O.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,(H2,15,17);2*1H
InChIKeyRYWOIGRZGFRIPS-UHFFFAOYSA-N
MW335.28 g/mol
LogP2.44
Rot. Bonds6

About N'-(3-piperidin-1-ylpropoxy)pyridine-3-carboximidamide;dihydrochloride

N'-(3-piperidin-1-ylpropoxy)pyridine-3-carboximidamide;dihydrochloride (PubChem CID 87475486) has the molecular formula C14H24Cl2N4O and a molecular weight of 335.28 g/mol. Its IUPAC name is N'-(3-piperidin-1-ylpropoxy)pyridine-3-carboximidamide;dihydrochloride.

Molecular Properties

Compound NameN'-(3-piperidin-1-ylpropoxy)pyridine-3-carboximidamide;dihydrochloride
PubChem CID87475486
Molecular FormulaC14H24Cl2N4O
Molecular Weight335.28 g/mol
Exact Mass334.13
IUPAC NameN'-(3-piperidin-1-ylpropoxy)pyridine-3-carboximidamide;dihydrochloride
SMILESCl.Cl.N/C(=N\OCCCN1CCCCC1)c1cccnc1
InChIInChI=1S/C14H22N4O.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,(H2,15,17);2*1H
InChIKeyRYWOIGRZGFRIPS-UHFFFAOYSA-N
XLogP2.44
TPSA63.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.28
LogP ≤ 52.44
H-Bond Donors ≤ 51
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': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(3-piperidin-1-ylpropoxy)pyridine-3-carboximidamide;dihydrochloride?
The IUPAC name of N'-(3-piperidin-1-ylpropoxy)pyridine-3-carboximidamide;dihydrochloride (CID 87475486) is N'-(3-piperidin-1-ylpropoxy)pyridine-3-carboximidamide;dihydrochloride.
What is the SMILES notation for N'-(3-piperidin-1-ylpropoxy)pyridine-3-carboximidamide;dihydrochloride?
The canonical SMILES for N'-(3-piperidin-1-ylpropoxy)pyridine-3-carboximidamide;dihydrochloride is Cl.Cl.N/C(=N\OCCCN1CCCCC1)c1cccnc1.
What is the InChIKey of N'-(3-piperidin-1-ylpropoxy)pyridine-3-carboximidamide;dihydrochloride?
The InChIKey is RYWOIGRZGFRIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O.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,(H2,15,17);2*1H.
What are the key properties of N'-(3-piperidin-1-ylpropoxy)pyridine-3-carboximidamide;dihydrochloride?
N'-(3-piperidin-1-ylpropoxy)pyridine-3-carboximidamide;dihydrochloride has a molecular weight of 335.28 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-piperidin-1-ylpropoxy)pyridine-3-carboximidamide;dihydrochloride is sourced from PubChem (CID 87475486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).