3-piperidin-1-ium-1-ylpropanehydrazide

C8H18N3O+ — CID 4201758

IUPAC3-piperidin-1-ium-1-ylpropanehydrazide
SMILESNNC(=O)CC[NH+]1CCCCC1
InChIInChI=1S/C8H17N3O/c9-10-8(12)4-7-11-5-2-1-3-6-11/h1-7,9H2,(H,10,12)/p+1
InChIKeyAWVBNMXEAMVLLQ-UHFFFAOYSA-O
MW172.25 g/mol
LogP-1.56
Rot. Bonds3

About 3-piperidin-1-ium-1-ylpropanehydrazide

3-piperidin-1-ium-1-ylpropanehydrazide (PubChem CID 4201758) has the molecular formula C8H18N3O+ and a molecular weight of 172.25 g/mol. Its IUPAC name is 3-piperidin-1-ium-1-ylpropanehydrazide.

Molecular Properties

Compound Name3-piperidin-1-ium-1-ylpropanehydrazide
PubChem CID4201758
Molecular FormulaC8H18N3O+
Molecular Weight172.25 g/mol
Exact Mass172.14
IUPAC Name3-piperidin-1-ium-1-ylpropanehydrazide
SMILESNNC(=O)CC[NH+]1CCCCC1
InChIInChI=1S/C8H17N3O/c9-10-8(12)4-7-11-5-2-1-3-6-11/h1-7,9H2,(H,10,12)/p+1
InChIKeyAWVBNMXEAMVLLQ-UHFFFAOYSA-O
XLogP-1.56
TPSA59.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 5-1.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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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Related Compounds

2-Methyl-3-piperidin-1-ylpropanohydrazide
CID 3734228
3-(Piperidin-1-yl)propanehydrazide
CID 776458
3-(4-Methylpiperidin-1-yl)propanehydrazide
CID 774285
N'-(N-methyl-4-piperidyl)acetohydrazide
CID 76046
2-Methyl-3-(4-methylpiperidin-1-yl)propanehydrazide
CID 3332405
3-(2,6-Dimethylpiperidin-1-yl)propanehydrazide
CID 3792022
3-(3,3-Difluoropiperidin-1-yl)propanehydrazide
CID 164657436
N-piperidin-1-ylpropanamide
CID 12226065
3-(1-Methylpiperidin-1-ium-1-yl)propanehydrazide
CID 23136137
3-(Cyclohexylamino)propanohydrazide
CID 28307063
3-(2-Methylpiperidin-1-yl)propanehydrazide
CID 60676133
3-Piperazin-1-ylpropanehydrazide
CID 63585080

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-ium-1-ylpropanehydrazide?
The IUPAC name of 3-piperidin-1-ium-1-ylpropanehydrazide (CID 4201758) is 3-piperidin-1-ium-1-ylpropanehydrazide.
What is the SMILES notation for 3-piperidin-1-ium-1-ylpropanehydrazide?
The canonical SMILES for 3-piperidin-1-ium-1-ylpropanehydrazide is NNC(=O)CC[NH+]1CCCCC1.
What is the InChIKey of 3-piperidin-1-ium-1-ylpropanehydrazide?
The InChIKey is AWVBNMXEAMVLLQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H17N3O/c9-10-8(12)4-7-11-5-2-1-3-6-11/h1-7,9H2,(H,10,12)/p+1.
What are the key properties of 3-piperidin-1-ium-1-ylpropanehydrazide?
3-piperidin-1-ium-1-ylpropanehydrazide has a molecular weight of 172.25 g/mol, XLogP of -1.56, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-ium-1-ylpropanehydrazide is sourced from PubChem (CID 4201758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).