tert-butyl 4-[(1-hydroxycyclohexyl)methyl]piperazine-1-carboxylate

C16H30N2O3 — CID 115750820

IUPACtert-butyl 4-[(1-hydroxycyclohexyl)methyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(CC2(O)CCCCC2)CC1
InChIInChI=1S/C16H30N2O3/c1-15(2,3)21-14(19)18-11-9-17(10-12-18)13-16(20)7-5-4-6-8-16/h20H,4-13H2,1-3H3
InChIKeyZKTYLGLARRVOLI-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.23
Rot. Bonds2

About tert-butyl 4-[(1-hydroxycyclohexyl)methyl]piperazine-1-carboxylate

tert-butyl 4-[(1-hydroxycyclohexyl)methyl]piperazine-1-carboxylate (PubChem CID 115750820) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is tert-butyl 4-[(1-hydroxycyclohexyl)methyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(1-hydroxycyclohexyl)methyl]piperazine-1-carboxylate
PubChem CID115750820
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Nametert-butyl 4-[(1-hydroxycyclohexyl)methyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(CC2(O)CCCCC2)CC1
InChIInChI=1S/C16H30N2O3/c1-15(2,3)21-14(19)18-11-9-17(10-12-18)13-16(20)7-5-4-6-8-16/h20H,4-13H2,1-3H3
InChIKeyZKTYLGLARRVOLI-UHFFFAOYSA-N
XLogP2.23
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-hydroxy-4-(thiomorpholin-4-ylmethyl)piperidine-1-carboxylate
CID 145290232
tert-butyl 4-hydroxy-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]piperidine-1-carboxylate
CID 129023836
tert-butyl 4-[(4-hydroxy-1-phenylmethoxycarbonylpiperidin-4-yl)methyl]piperazine-1-carboxylate
CID 172592582
tert-butyl 4-hydroxy-4-[(3-methoxyazetidin-1-yl)methyl]piperidine-1-carboxylate
CID 126847314
tert-butyl 4-ethylpiperazine-1-carboxylate
CID 21224793
tert-butyl 4-(aminomethyl)-4-hydroxyazepane-1-carboxylate
CID 56698914
tert-butyl azacyclopentadecane-1-carboxylate
CID 11771344
tert-butyl (3S)-3-hydroxy-3-(hydroxymethyl)piperidine-1-carboxylate
CID 97172659
azane;tert-butyl piperidine-1-carboxylate
CID 134583959
tert-butyl 4-fluoro-4-(morpholin-4-ylmethyl)piperidine-1-carboxylate
CID 121290195
1-[[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methyl]cyclohexan-1-ol
CID 63632763
tert-butyl 4-(methylsulfanylmethyl)piperazine-1-carboxylate
CID 68549391

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(1-hydroxycyclohexyl)methyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(1-hydroxycyclohexyl)methyl]piperazine-1-carboxylate (CID 115750820) is tert-butyl 4-[(1-hydroxycyclohexyl)methyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(1-hydroxycyclohexyl)methyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(1-hydroxycyclohexyl)methyl]piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(CC2(O)CCCCC2)CC1.
What is the InChIKey of tert-butyl 4-[(1-hydroxycyclohexyl)methyl]piperazine-1-carboxylate?
The InChIKey is ZKTYLGLARRVOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-15(2,3)21-14(19)18-11-9-17(10-12-18)13-16(20)7-5-4-6-8-16/h20H,4-13H2,1-3H3.
What are the key properties of tert-butyl 4-[(1-hydroxycyclohexyl)methyl]piperazine-1-carboxylate?
tert-butyl 4-[(1-hydroxycyclohexyl)methyl]piperazine-1-carboxylate has a molecular weight of 298.43 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(1-hydroxycyclohexyl)methyl]piperazine-1-carboxylate is sourced from PubChem (CID 115750820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).