2-piperidin-4-ylcyclopropane-1-carbohydrazide;hydrochloride

C9H18ClN3O — CID 131089717

IUPAC2-piperidin-4-ylcyclopropane-1-carbohydrazide;hydrochloride
SMILESCl.NNC(=O)C1CC1C1CCNCC1
InChIInChI=1S/C9H17N3O.ClH/c10-12-9(13)8-5-7(8)6-1-3-11-4-2-6;/h6-8,11H,1-5,10H2,(H,12,13);1H
InChIKeyMPMKKCGBPVEKRQ-UHFFFAOYSA-N
MW219.72 g/mol
LogP0.03
Rot. Bonds2

About 2-piperidin-4-ylcyclopropane-1-carbohydrazide;hydrochloride

2-piperidin-4-ylcyclopropane-1-carbohydrazide;hydrochloride (PubChem CID 131089717) has the molecular formula C9H18ClN3O and a molecular weight of 219.72 g/mol. Its IUPAC name is 2-piperidin-4-ylcyclopropane-1-carbohydrazide;hydrochloride.

Molecular Properties

Compound Name2-piperidin-4-ylcyclopropane-1-carbohydrazide;hydrochloride
PubChem CID131089717
Molecular FormulaC9H18ClN3O
Molecular Weight219.72 g/mol
Exact Mass219.11
IUPAC Name2-piperidin-4-ylcyclopropane-1-carbohydrazide;hydrochloride
SMILESCl.NNC(=O)C1CC1C1CCNCC1
InChIInChI=1S/C9H17N3O.ClH/c10-12-9(13)8-5-7(8)6-1-3-11-4-2-6;/h6-8,11H,1-5,10H2,(H,12,13);1H
InChIKeyMPMKKCGBPVEKRQ-UHFFFAOYSA-N
XLogP0.03
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.72
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 2-piperidin-4-ylcyclopropane-1-carbohydrazide;hydrochloride?
The IUPAC name of 2-piperidin-4-ylcyclopropane-1-carbohydrazide;hydrochloride (CID 131089717) is 2-piperidin-4-ylcyclopropane-1-carbohydrazide;hydrochloride.
What is the SMILES notation for 2-piperidin-4-ylcyclopropane-1-carbohydrazide;hydrochloride?
The canonical SMILES for 2-piperidin-4-ylcyclopropane-1-carbohydrazide;hydrochloride is Cl.NNC(=O)C1CC1C1CCNCC1.
What is the InChIKey of 2-piperidin-4-ylcyclopropane-1-carbohydrazide;hydrochloride?
The InChIKey is MPMKKCGBPVEKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O.ClH/c10-12-9(13)8-5-7(8)6-1-3-11-4-2-6;/h6-8,11H,1-5,10H2,(H,12,13);1H.
What are the key properties of 2-piperidin-4-ylcyclopropane-1-carbohydrazide;hydrochloride?
2-piperidin-4-ylcyclopropane-1-carbohydrazide;hydrochloride has a molecular weight of 219.72 g/mol, XLogP of 0.03, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-ylcyclopropane-1-carbohydrazide;hydrochloride is sourced from PubChem (CID 131089717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).