(3Z)-N-[(2S)-2-hydroxy-3-piperidin-1-ylpropoxy]pyridine-3-carboximidoyl chloride

C14H20ClN3O2 — CID 76970319

IUPAC(3Z)-N-[(2S)-2-hydroxy-3-piperidin-1-ylpropoxy]pyridine-3-carboximidoyl chloride
SMILESO[C@H](CO/N=C(\Cl)c1cccnc1)CN1CCCCC1
InChIInChI=1S/C14H20ClN3O2/c15-14(12-5-4-6-16-9-12)17-20-11-13(19)10-18-7-2-1-3-8-18/h4-6,9,13,19H,1-3,7-8,10-11H2/b17-14-/t13-/m0/s1
InChIKeyNMOVJBAGBXIKCG-FSLWVPIDSA-N
MW297.79 g/mol
LogP1.85
Rot. Bonds6

About (3Z)-N-[(2S)-2-hydroxy-3-piperidin-1-ylpropoxy]pyridine-3-carboximidoyl chloride

(3Z)-N-[(2S)-2-hydroxy-3-piperidin-1-ylpropoxy]pyridine-3-carboximidoyl chloride (PubChem CID 76970319) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is (3Z)-N-[(2S)-2-hydroxy-3-piperidin-1-ylpropoxy]pyridine-3-carboximidoyl chloride.

Molecular Properties

Compound Name(3Z)-N-[(2S)-2-hydroxy-3-piperidin-1-ylpropoxy]pyridine-3-carboximidoyl chloride
PubChem CID76970319
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name(3Z)-N-[(2S)-2-hydroxy-3-piperidin-1-ylpropoxy]pyridine-3-carboximidoyl chloride
SMILESO[C@H](CO/N=C(\Cl)c1cccnc1)CN1CCCCC1
InChIInChI=1S/C14H20ClN3O2/c15-14(12-5-4-6-16-9-12)17-20-11-13(19)10-18-7-2-1-3-8-18/h4-6,9,13,19H,1-3,7-8,10-11H2/b17-14-/t13-/m0/s1
InChIKeyNMOVJBAGBXIKCG-FSLWVPIDSA-N
XLogP1.85
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 (3Z)-N-[(2S)-2-hydroxy-3-piperidin-1-ylpropoxy]pyridine-3-carboximidoyl chloride?
The IUPAC name of (3Z)-N-[(2S)-2-hydroxy-3-piperidin-1-ylpropoxy]pyridine-3-carboximidoyl chloride (CID 76970319) is (3Z)-N-[(2S)-2-hydroxy-3-piperidin-1-ylpropoxy]pyridine-3-carboximidoyl chloride.
What is the SMILES notation for (3Z)-N-[(2S)-2-hydroxy-3-piperidin-1-ylpropoxy]pyridine-3-carboximidoyl chloride?
The canonical SMILES for (3Z)-N-[(2S)-2-hydroxy-3-piperidin-1-ylpropoxy]pyridine-3-carboximidoyl chloride is O[C@H](CO/N=C(\Cl)c1cccnc1)CN1CCCCC1.
What is the InChIKey of (3Z)-N-[(2S)-2-hydroxy-3-piperidin-1-ylpropoxy]pyridine-3-carboximidoyl chloride?
The InChIKey is NMOVJBAGBXIKCG-FSLWVPIDSA-N. The full InChI is InChI=1S/C14H20ClN3O2/c15-14(12-5-4-6-16-9-12)17-20-11-13(19)10-18-7-2-1-3-8-18/h4-6,9,13,19H,1-3,7-8,10-11H2/b17-14-/t13-/m0/s1.
What are the key properties of (3Z)-N-[(2S)-2-hydroxy-3-piperidin-1-ylpropoxy]pyridine-3-carboximidoyl chloride?
(3Z)-N-[(2S)-2-hydroxy-3-piperidin-1-ylpropoxy]pyridine-3-carboximidoyl chloride has a molecular weight of 297.79 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N-[(2S)-2-hydroxy-3-piperidin-1-ylpropoxy]pyridine-3-carboximidoyl chloride is sourced from PubChem (CID 76970319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).