tert-butyl formate;(1-tert-butylpiperidin-4-yl)hydrazine

C14H31N3O2 — CID 174702335

IUPACtert-butyl formate;(1-tert-butylpiperidin-4-yl)hydrazine
SMILESCC(C)(C)N1CCC(NN)CC1.CC(C)(C)OC=O
InChIInChI=1S/C9H21N3.C5H10O2/c1-9(2,3)12-6-4-8(11-10)5-7-12;1-5(2,3)7-4-6/h8,11H,4-7,10H2,1-3H3;4H,1-3H3
InChIKeyYIQAQYDSEDDRQK-UHFFFAOYSA-N
MW273.42 g/mol
LogP1.67
Rot. Bonds2

About tert-butyl formate;(1-tert-butylpiperidin-4-yl)hydrazine

tert-butyl formate;(1-tert-butylpiperidin-4-yl)hydrazine (PubChem CID 174702335) has the molecular formula C14H31N3O2 and a molecular weight of 273.42 g/mol. Its IUPAC name is tert-butyl formate;(1-tert-butylpiperidin-4-yl)hydrazine.

Molecular Properties

Compound Nametert-butyl formate;(1-tert-butylpiperidin-4-yl)hydrazine
PubChem CID174702335
Molecular FormulaC14H31N3O2
Molecular Weight273.42 g/mol
Exact Mass273.24
IUPAC Nametert-butyl formate;(1-tert-butylpiperidin-4-yl)hydrazine
SMILESCC(C)(C)N1CCC(NN)CC1.CC(C)(C)OC=O
InChIInChI=1S/C9H21N3.C5H10O2/c1-9(2,3)12-6-4-8(11-10)5-7-12;1-5(2,3)7-4-6/h8,11H,4-7,10H2,1-3H3;4H,1-3H3
InChIKeyYIQAQYDSEDDRQK-UHFFFAOYSA-N
XLogP1.67
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(1-tert-butylpiperidin-4-yl)hydrazine
CID 21097250
tert-butyl formate;(4-hydrazinylpiperidin-2-ylidene)methanone
CID 176531123
tert-butyl formate;cyclononane
CID 174460222
tert-butyl formate;ethane
CID 175326717
2-amino-N-(1-tert-butylpiperidin-4-yl)-2-methylpropanamide
CID 61264639
tert-butyl formate;pyrrolidine-3-carbohydrazide
CID 174810054
tert-butyl formate;N-methyl-1-propan-2-ylpiperidin-3-amine
CID 142327095
1-tert-butyl-N-cyclooctylpiperidin-4-amine
CID 54866557
tert-butyl formate;ethane;methanamine;1-methylpiperidine
CID 143198708
N-(azetidin-3-yl)acetamide;tert-butyl formate
CID 174943271
tert-butyl formate;1-(dimethylamino)piperidine-4-carbaldehyde
CID 174538047
1-tert-butyl-4-[(2-methylpropan-2-yl)oxy]piperidine
CID 59522786

Frequently Asked Questions

What is the IUPAC name of tert-butyl formate;(1-tert-butylpiperidin-4-yl)hydrazine?
The IUPAC name of tert-butyl formate;(1-tert-butylpiperidin-4-yl)hydrazine (CID 174702335) is tert-butyl formate;(1-tert-butylpiperidin-4-yl)hydrazine.
What is the SMILES notation for tert-butyl formate;(1-tert-butylpiperidin-4-yl)hydrazine?
The canonical SMILES for tert-butyl formate;(1-tert-butylpiperidin-4-yl)hydrazine is CC(C)(C)N1CCC(NN)CC1.CC(C)(C)OC=O.
What is the InChIKey of tert-butyl formate;(1-tert-butylpiperidin-4-yl)hydrazine?
The InChIKey is YIQAQYDSEDDRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3.C5H10O2/c1-9(2,3)12-6-4-8(11-10)5-7-12;1-5(2,3)7-4-6/h8,11H,4-7,10H2,1-3H3;4H,1-3H3.
What are the key properties of tert-butyl formate;(1-tert-butylpiperidin-4-yl)hydrazine?
tert-butyl formate;(1-tert-butylpiperidin-4-yl)hydrazine has a molecular weight of 273.42 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl formate;(1-tert-butylpiperidin-4-yl)hydrazine is sourced from PubChem (CID 174702335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).