tert-butyl 4-(1-cyclohexyl-2-hydroxyethyl)piperazine-1-carboxylate

C17H32N2O3 — CID 58786406

IUPACtert-butyl 4-(1-cyclohexyl-2-hydroxyethyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C(CO)C2CCCCC2)CC1
InChIInChI=1S/C17H32N2O3/c1-17(2,3)22-16(21)19-11-9-18(10-12-19)15(13-20)14-7-5-4-6-8-14/h14-15,20H,4-13H2,1-3H3
InChIKeyLIGVAZHUGGKTEA-UHFFFAOYSA-N
MW312.45 g/mol
LogP2.48
Rot. Bonds3

About tert-butyl 4-(1-cyclohexyl-2-hydroxyethyl)piperazine-1-carboxylate

tert-butyl 4-(1-cyclohexyl-2-hydroxyethyl)piperazine-1-carboxylate (PubChem CID 58786406) has the molecular formula C17H32N2O3 and a molecular weight of 312.45 g/mol. Its IUPAC name is tert-butyl 4-(1-cyclohexyl-2-hydroxyethyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(1-cyclohexyl-2-hydroxyethyl)piperazine-1-carboxylate
PubChem CID58786406
Molecular FormulaC17H32N2O3
Molecular Weight312.45 g/mol
Exact Mass312.24
IUPAC Nametert-butyl 4-(1-cyclohexyl-2-hydroxyethyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C(CO)C2CCCCC2)CC1
InChIInChI=1S/C17H32N2O3/c1-17(2,3)22-16(21)19-11-9-18(10-12-19)15(13-20)14-7-5-4-6-8-14/h14-15,20H,4-13H2,1-3H3
InChIKeyLIGVAZHUGGKTEA-UHFFFAOYSA-N
XLogP2.48
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.45
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (2R,4R)-2-(hydroxymethyl)-4-methyl-piperidine-1-carboxylate
CID 23628436
tert-Butyl 4-(2-Fluoro-4-(hydroxymethyl)cyclohexyl)piperazine-1-carboxylate
CID 70981148
Tert-butyl 5-(4,4-difluorocyclohexyl)-2-(hydroxymethyl)piperidine-1-carboxylate
CID 156694633
tert-butyl (1S,3S,4S,6S)-6-fluoro-3-(hydroxymethyl)-2-azabicyclo[2.2.2]octane-2-carboxylate
CID 166815390
(2s,3s)-1-(t-Butoxycarbonyl)-3-hydroxy-2-(1-hydroxycyclohexyl)piperidine
CID 129822582
Tert-butyl 5-fluoro-3-(hydroxymethyl)-2-azabicyclo[2.2.2]octane-2-carboxylate
CID 177785273
tert-butyl rel-(1S,3S,4S,5R)-5-fluoro-3-(hydroxymethyl)-2-azabicyclo[2.2.2]octane-2-carboxylate
CID 177785274
tert-butyl rel-(3S,5R)-5-fluoro-3-(hydroxymethyl)-2-azabicyclo[2.2.2]octane-2-carboxylate
CID 177786270
(4R)-3-[[(1S,2S)-2-hydroxycyclohexyl]methyl]-4-(piperidin-1-ylmethyl)-1,3-oxazolidin-2-one
CID 102274738
(4S)-3-[[(1S,2S)-2-hydroxycyclohexyl]methyl]-4-(piperidin-1-ylmethyl)-1,3-oxazolidin-2-one
CID 102274739
t-butyl [(1S)-1-(cyclohexylmethyl)-2-hydroxy-3-piperidinopropyl]carbamate
CID 56982890
Tert-butyl 4-(1-cycloheptyl-2-hydroxyethyl)piperazine-1-carboxylate
CID 58786448

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(1-cyclohexyl-2-hydroxyethyl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(1-cyclohexyl-2-hydroxyethyl)piperazine-1-carboxylate (CID 58786406) is tert-butyl 4-(1-cyclohexyl-2-hydroxyethyl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(1-cyclohexyl-2-hydroxyethyl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(1-cyclohexyl-2-hydroxyethyl)piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(C(CO)C2CCCCC2)CC1.
What is the InChIKey of tert-butyl 4-(1-cyclohexyl-2-hydroxyethyl)piperazine-1-carboxylate?
The InChIKey is LIGVAZHUGGKTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O3/c1-17(2,3)22-16(21)19-11-9-18(10-12-19)15(13-20)14-7-5-4-6-8-14/h14-15,20H,4-13H2,1-3H3.
What are the key properties of tert-butyl 4-(1-cyclohexyl-2-hydroxyethyl)piperazine-1-carboxylate?
tert-butyl 4-(1-cyclohexyl-2-hydroxyethyl)piperazine-1-carboxylate has a molecular weight of 312.45 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(1-cyclohexyl-2-hydroxyethyl)piperazine-1-carboxylate is sourced from PubChem (CID 58786406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).