piperidin-4-yl (1E)-N,N-dimethylethanehydrazonate

C9H19N3O — CID 170618257

IUPACpiperidin-4-yl (1E)-N,N-dimethylethanehydrazonate
SMILESC/C(=N\N(C)C)OC1CCNCC1
InChIInChI=1S/C9H19N3O/c1-8(11-12(2)3)13-9-4-6-10-7-5-9/h9-10H,4-7H2,1-3H3/b11-8+
InChIKeyZMQHCCKEUGFRFA-DHZHZOJOSA-N
MW185.27 g/mol
LogP0.65
Rot. Bonds2

About piperidin-4-yl (1E)-N,N-dimethylethanehydrazonate

piperidin-4-yl (1E)-N,N-dimethylethanehydrazonate (PubChem CID 170618257) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is piperidin-4-yl (1E)-N,N-dimethylethanehydrazonate.

Molecular Properties

Compound Namepiperidin-4-yl (1E)-N,N-dimethylethanehydrazonate
PubChem CID170618257
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Namepiperidin-4-yl (1E)-N,N-dimethylethanehydrazonate
SMILESC/C(=N\N(C)C)OC1CCNCC1
InChIInChI=1S/C9H19N3O/c1-8(11-12(2)3)13-9-4-6-10-7-5-9/h9-10H,4-7H2,1-3H3/b11-8+
InChIKeyZMQHCCKEUGFRFA-DHZHZOJOSA-N
XLogP0.65
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 piperidin-4-yl (1E)-N,N-dimethylethanehydrazonate?
The IUPAC name of piperidin-4-yl (1E)-N,N-dimethylethanehydrazonate (CID 170618257) is piperidin-4-yl (1E)-N,N-dimethylethanehydrazonate.
What is the SMILES notation for piperidin-4-yl (1E)-N,N-dimethylethanehydrazonate?
The canonical SMILES for piperidin-4-yl (1E)-N,N-dimethylethanehydrazonate is C/C(=N\N(C)C)OC1CCNCC1.
What is the InChIKey of piperidin-4-yl (1E)-N,N-dimethylethanehydrazonate?
The InChIKey is ZMQHCCKEUGFRFA-DHZHZOJOSA-N. The full InChI is InChI=1S/C9H19N3O/c1-8(11-12(2)3)13-9-4-6-10-7-5-9/h9-10H,4-7H2,1-3H3/b11-8+.
What are the key properties of piperidin-4-yl (1E)-N,N-dimethylethanehydrazonate?
piperidin-4-yl (1E)-N,N-dimethylethanehydrazonate has a molecular weight of 185.27 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-4-yl (1E)-N,N-dimethylethanehydrazonate is sourced from PubChem (CID 170618257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).