tert-butyl formate;4-piperazin-1-ylcyclohexan-1-ol

C15H30N2O3 — CID 157274796

IUPACtert-butyl formate;4-piperazin-1-ylcyclohexan-1-ol
SMILESCC(C)(C)OC=O.OC1CCC(N2CCNCC2)CC1
InChIInChI=1S/C10H20N2O.C5H10O2/c13-10-3-1-9(2-4-10)12-7-5-11-6-8-12;1-5(2,3)7-4-6/h9-11,13H,1-8H2;4H,1-3H3
InChIKeyAYYVXKHGIAZMEZ-UHFFFAOYSA-N
MW286.42 g/mol
LogP1.15
Rot. Bonds2

About tert-butyl formate;4-piperazin-1-ylcyclohexan-1-ol

tert-butyl formate;4-piperazin-1-ylcyclohexan-1-ol (PubChem CID 157274796) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is tert-butyl formate;4-piperazin-1-ylcyclohexan-1-ol.

Molecular Properties

Compound Nametert-butyl formate;4-piperazin-1-ylcyclohexan-1-ol
PubChem CID157274796
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Nametert-butyl formate;4-piperazin-1-ylcyclohexan-1-ol
SMILESCC(C)(C)OC=O.OC1CCC(N2CCNCC2)CC1
InChIInChI=1S/C10H20N2O.C5H10O2/c13-10-3-1-9(2-4-10)12-7-5-11-6-8-12;1-5(2,3)7-4-6/h9-11,13H,1-8H2;4H,1-3H3
InChIKeyAYYVXKHGIAZMEZ-UHFFFAOYSA-N
XLogP1.15
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-piperazin-1-ylcyclohexan-1-ol
CID 21256600
tert-butyl formate;piperazine
CID 159581918
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CID 158926595
3-piperazin-1-ylcyclopentan-1-ol
CID 84653883
tert-butyl 4-piperazin-1-ylpiperidine-1-carboxylate;dihydrochloride
CID 68579096
tert-butyl formate;carbamic acid;piperazine
CID 174978332
tert-butyl formate;4-piperazin-1-ylbenzaldehyde
CID 175192422
tert-butyl formate;methyl 1-(2-piperazin-1-ylethyl)piperidine-4-carboxylate;piperazine
CID 175303699
tert-butyl formate;piperazine-1-carboximidamide;hydrochloride
CID 174785913
(3R,4R)-4-aminopyrrolidin-3-ol;tert-butyl formate
CID 174893952
tert-butyl formate;2,6-dimethylpiperidin-4-ol
CID 174682531
tert-butyl formate;1-piperidin-4-ylethanamine
CID 174560840

Frequently Asked Questions

What is the IUPAC name of tert-butyl formate;4-piperazin-1-ylcyclohexan-1-ol?
The IUPAC name of tert-butyl formate;4-piperazin-1-ylcyclohexan-1-ol (CID 157274796) is tert-butyl formate;4-piperazin-1-ylcyclohexan-1-ol.
What is the SMILES notation for tert-butyl formate;4-piperazin-1-ylcyclohexan-1-ol?
The canonical SMILES for tert-butyl formate;4-piperazin-1-ylcyclohexan-1-ol is CC(C)(C)OC=O.OC1CCC(N2CCNCC2)CC1.
What is the InChIKey of tert-butyl formate;4-piperazin-1-ylcyclohexan-1-ol?
The InChIKey is AYYVXKHGIAZMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O.C5H10O2/c13-10-3-1-9(2-4-10)12-7-5-11-6-8-12;1-5(2,3)7-4-6/h9-11,13H,1-8H2;4H,1-3H3.
What are the key properties of tert-butyl formate;4-piperazin-1-ylcyclohexan-1-ol?
tert-butyl formate;4-piperazin-1-ylcyclohexan-1-ol has a molecular weight of 286.42 g/mol, XLogP of 1.15, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl formate;4-piperazin-1-ylcyclohexan-1-ol is sourced from PubChem (CID 157274796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).