tert-butyl 4-cyclohexylpiperazine-1-carboxylate

C15H28N2O2 — CID 57478584

IUPACtert-butyl 4-cyclohexylpiperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C15H28N2O2/c1-15(2,3)19-14(18)17-11-9-16(10-12-17)13-7-5-4-6-8-13/h13H,4-12H2,1-3H3
InChIKeyORXKBWINKNLAAY-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.87
Rot. Bonds1

About tert-butyl 4-cyclohexylpiperazine-1-carboxylate

tert-butyl 4-cyclohexylpiperazine-1-carboxylate (PubChem CID 57478584) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is tert-butyl 4-cyclohexylpiperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-cyclohexylpiperazine-1-carboxylate
PubChem CID57478584
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Nametert-butyl 4-cyclohexylpiperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C15H28N2O2/c1-15(2,3)19-14(18)17-11-9-16(10-12-17)13-7-5-4-6-8-13/h13H,4-12H2,1-3H3
InChIKeyORXKBWINKNLAAY-UHFFFAOYSA-N
XLogP2.87
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxylate
CID 63788851
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tert-butyl 4-(1-cyclobutylpiperidin-4-yl)oxypiperidine-1-carboxylate
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tert-butyl 8-cyclohexyl-2,8-diazaspiro[4.5]decane-2-carboxylate
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tert-butyl 4-[1-[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-2-methyl-1-oxopropan-2-yl]piperazine-1-carboxylate
CID 97317458
tert-butyl 4-[4-(oxetan-3-yl)piperazin-1-yl]piperidine-1-carboxylate
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2-[4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]cyclohexyl]acetic acid
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tert-butyl 4-piperidin-3-yl-1,4-diazepane-1-carboxylate
CID 82564765
methyl 4-cyclopentylpiperazine-1-carboxylate
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tert-butyl azacyclopentadecane-1-carboxylate
CID 11771344
tert-butyl 4-(4,4-dimethylpiperidin-1-yl)piperidine-1-carboxylate
CID 22179860
tert-butyl 4-(4-methyl-4-oxo-1,4λ5-azaphosphinan-1-yl)piperidine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-cyclohexylpiperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-cyclohexylpiperazine-1-carboxylate (CID 57478584) is tert-butyl 4-cyclohexylpiperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-cyclohexylpiperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-cyclohexylpiperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(C2CCCCC2)CC1.
What is the InChIKey of tert-butyl 4-cyclohexylpiperazine-1-carboxylate?
The InChIKey is ORXKBWINKNLAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-15(2,3)19-14(18)17-11-9-16(10-12-17)13-7-5-4-6-8-13/h13H,4-12H2,1-3H3.
What are the key properties of tert-butyl 4-cyclohexylpiperazine-1-carboxylate?
tert-butyl 4-cyclohexylpiperazine-1-carboxylate has a molecular weight of 268.40 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-cyclohexylpiperazine-1-carboxylate is sourced from PubChem (CID 57478584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).