tert-butyl 4-ethyl-2-(2-hydroxy-5-methylcyclohexyl)piperidine-1-carboxylate

C19H35NO3 — CID 104921887

IUPACtert-butyl 4-ethyl-2-(2-hydroxy-5-methylcyclohexyl)piperidine-1-carboxylate
SMILESCCC1CCN(C(=O)OC(C)(C)C)C(C2CC(C)CCC2O)C1
InChIInChI=1S/C19H35NO3/c1-6-14-9-10-20(18(22)23-19(3,4)5)16(12-14)15-11-13(2)7-8-17(15)21/h13-17,21H,6-12H2,1-5H3
InChIKeyQIQRGMTUURRQCI-UHFFFAOYSA-N
MW325.49 g/mol
LogP4.21
Rot. Bonds2

About tert-butyl 4-ethyl-2-(2-hydroxy-5-methylcyclohexyl)piperidine-1-carboxylate

tert-butyl 4-ethyl-2-(2-hydroxy-5-methylcyclohexyl)piperidine-1-carboxylate (PubChem CID 104921887) has the molecular formula C19H35NO3 and a molecular weight of 325.49 g/mol. Its IUPAC name is tert-butyl 4-ethyl-2-(2-hydroxy-5-methylcyclohexyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-ethyl-2-(2-hydroxy-5-methylcyclohexyl)piperidine-1-carboxylate
PubChem CID104921887
Molecular FormulaC19H35NO3
Molecular Weight325.49 g/mol
Exact Mass325.26
IUPAC Nametert-butyl 4-ethyl-2-(2-hydroxy-5-methylcyclohexyl)piperidine-1-carboxylate
SMILESCCC1CCN(C(=O)OC(C)(C)C)C(C2CC(C)CCC2O)C1
InChIInChI=1S/C19H35NO3/c1-6-14-9-10-20(18(22)23-19(3,4)5)16(12-14)15-11-13(2)7-8-17(15)21/h13-17,21H,6-12H2,1-5H3
InChIKeyQIQRGMTUURRQCI-UHFFFAOYSA-N
XLogP4.21
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.49
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (1R,5R,6S)-6-hydroxy-2-azabicyclo[3.2.0]heptane-2-carboxylate
CID 131017793
tert-butyl 4-ethyl-2-(3-methoxy-2,3-dioxopropyl)piperidine-1-carboxylate
CID 104921875
tert-butyl 3-(1,4-dimethylpiperidin-2-yl)-4-ethyl-5-[4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]piperidine-1-carboxylate
CID 143850807
tert-butyl 4-(aminomethyl)-2-cyclopropylpiperidine-1-carboxylate
CID 83919917
(4R)-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 58822358
tert-butyl 5-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxylate
CID 135394930
tert-butyl (2R,3S)-2-ethyl-3-methylpyrrolidine-1-carboxylate
CID 170139098
tert-butyl 4-hydroxy-2-azabicyclo[3.1.0]hexane-2-carboxylate
CID 130204248
1-O-tert-butyl 2-O-methyl 4-methylpiperidine-1,2-dicarboxylate
CID 21032095
tert-butyl 3-(3-ethylcyclohexyl)-4-hydroxypiperidine-1-carboxylate
CID 104928426
tert-butyl 4-(2-aminoethyl)-2-ethylpiperidine-1-carboxylate
CID 84805351
ditert-butyl (3S)-3-hydroxypyrrolidine-1,2-dicarboxylate
CID 90943157

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-ethyl-2-(2-hydroxy-5-methylcyclohexyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-ethyl-2-(2-hydroxy-5-methylcyclohexyl)piperidine-1-carboxylate (CID 104921887) is tert-butyl 4-ethyl-2-(2-hydroxy-5-methylcyclohexyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-ethyl-2-(2-hydroxy-5-methylcyclohexyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-ethyl-2-(2-hydroxy-5-methylcyclohexyl)piperidine-1-carboxylate is CCC1CCN(C(=O)OC(C)(C)C)C(C2CC(C)CCC2O)C1.
What is the InChIKey of tert-butyl 4-ethyl-2-(2-hydroxy-5-methylcyclohexyl)piperidine-1-carboxylate?
The InChIKey is QIQRGMTUURRQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO3/c1-6-14-9-10-20(18(22)23-19(3,4)5)16(12-14)15-11-13(2)7-8-17(15)21/h13-17,21H,6-12H2,1-5H3.
What are the key properties of tert-butyl 4-ethyl-2-(2-hydroxy-5-methylcyclohexyl)piperidine-1-carboxylate?
tert-butyl 4-ethyl-2-(2-hydroxy-5-methylcyclohexyl)piperidine-1-carboxylate has a molecular weight of 325.49 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-ethyl-2-(2-hydroxy-5-methylcyclohexyl)piperidine-1-carboxylate is sourced from PubChem (CID 104921887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).