(3R)-1-tert-butylpiperidine-3-carbohydrazide

C10H21N3O — CID 67516967

IUPAC(3R)-1-tert-butylpiperidine-3-carbohydrazide
SMILESCC(C)(C)N1CCC[C@@H](C(=O)NN)C1
InChIInChI=1S/C10H21N3O/c1-10(2,3)13-6-4-5-8(7-13)9(14)12-11/h8H,4-7,11H2,1-3H3,(H,12,14)/t8-/m1/s1
InChIKeyXEGMWWJSKBVQKN-MRVPVSSYSA-N
MW199.30 g/mol
LogP0.49
Rot. Bonds1

About (3R)-1-tert-butylpiperidine-3-carbohydrazide

(3R)-1-tert-butylpiperidine-3-carbohydrazide (PubChem CID 67516967) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is (3R)-1-tert-butylpiperidine-3-carbohydrazide.

Molecular Properties

Compound Name(3R)-1-tert-butylpiperidine-3-carbohydrazide
PubChem CID67516967
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name(3R)-1-tert-butylpiperidine-3-carbohydrazide
SMILESCC(C)(C)N1CCC[C@@H](C(=O)NN)C1
InChIInChI=1S/C10H21N3O/c1-10(2,3)13-6-4-5-8(7-13)9(14)12-11/h8H,4-7,11H2,1-3H3,(H,12,14)/t8-/m1/s1
InChIKeyXEGMWWJSKBVQKN-MRVPVSSYSA-N
XLogP0.49
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.49
H-Bond Donors ≤ 52
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 (3R)-1-tert-butylpiperidine-3-carbohydrazide?
The IUPAC name of (3R)-1-tert-butylpiperidine-3-carbohydrazide (CID 67516967) is (3R)-1-tert-butylpiperidine-3-carbohydrazide.
What is the SMILES notation for (3R)-1-tert-butylpiperidine-3-carbohydrazide?
The canonical SMILES for (3R)-1-tert-butylpiperidine-3-carbohydrazide is CC(C)(C)N1CCC[C@@H](C(=O)NN)C1.
What is the InChIKey of (3R)-1-tert-butylpiperidine-3-carbohydrazide?
The InChIKey is XEGMWWJSKBVQKN-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-10(2,3)13-6-4-5-8(7-13)9(14)12-11/h8H,4-7,11H2,1-3H3,(H,12,14)/t8-/m1/s1.
What are the key properties of (3R)-1-tert-butylpiperidine-3-carbohydrazide?
(3R)-1-tert-butylpiperidine-3-carbohydrazide has a molecular weight of 199.30 g/mol, XLogP of 0.49, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-tert-butylpiperidine-3-carbohydrazide is sourced from PubChem (CID 67516967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).