tert-butyl 3-(4-ethylcyclohexyl)-4-hydroxypiperidine-1-carboxylate

C18H33NO3 — CID 104928472

IUPACtert-butyl 3-(4-ethylcyclohexyl)-4-hydroxypiperidine-1-carboxylate
SMILESCCC1CCC(C2CN(C(=O)OC(C)(C)C)CCC2O)CC1
InChIInChI=1S/C18H33NO3/c1-5-13-6-8-14(9-7-13)15-12-19(11-10-16(15)20)17(21)22-18(2,3)4/h13-16,20H,5-12H2,1-4H3
InChIKeyPANPBYKFOADRQH-UHFFFAOYSA-N
MW311.47 g/mol
LogP3.82
Rot. Bonds2

About tert-butyl 3-(4-ethylcyclohexyl)-4-hydroxypiperidine-1-carboxylate

tert-butyl 3-(4-ethylcyclohexyl)-4-hydroxypiperidine-1-carboxylate (PubChem CID 104928472) has the molecular formula C18H33NO3 and a molecular weight of 311.47 g/mol. Its IUPAC name is tert-butyl 3-(4-ethylcyclohexyl)-4-hydroxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(4-ethylcyclohexyl)-4-hydroxypiperidine-1-carboxylate
PubChem CID104928472
Molecular FormulaC18H33NO3
Molecular Weight311.47 g/mol
Exact Mass311.25
IUPAC Nametert-butyl 3-(4-ethylcyclohexyl)-4-hydroxypiperidine-1-carboxylate
SMILESCCC1CCC(C2CN(C(=O)OC(C)(C)C)CCC2O)CC1
InChIInChI=1S/C18H33NO3/c1-5-13-6-8-14(9-7-13)15-12-19(11-10-16(15)20)17(21)22-18(2,3)4/h13-16,20H,5-12H2,1-4H3
InChIKeyPANPBYKFOADRQH-UHFFFAOYSA-N
XLogP3.82
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 3-(3-ethylcyclohexyl)-4-hydroxypiperidine-1-carboxylate
CID 104928426
tert-butyl 3-(aminomethyl)-4-cyclopropylpiperidine-1-carboxylate
CID 83919927
tert-butyl 4-(aminomethyl)-3-cyclopropylpiperidine-1-carboxylate
CID 84804780
tert-butyl (3R,4S)-4-amino-3-cyclopropylpiperidine-1-carboxylate
CID 155905077
tert-butyl (4R)-4-hydroxy-3-methylpiperidine-1-carboxylate
CID 118535016
tert-butyl 3-butyl-4-hydroxypiperidine-1-carboxylate
CID 114452023
tert-butyl (4aS,6S,7R,8aR)-6,7-dihydroxy-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxylate
CID 86338160
tert-butyl (4aR,8aS)-6,7-dihydroxy-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxylate
CID 127262569
tert-butyl (4S,5R)-4-hydroxy-5-methylazepane-1-carboxylate
CID 124523390
tert-butyl 3-ethylazepane-1-carboxylate
CID 118248120
tert-butyl (3S,4S)-3-bromo-4-hydroxypiperidine-1-carboxylate
CID 125183576
tert-butyl 3-(cyclopropylmethyl)pyrrolidine-1-carboxylate
CID 167732516

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(4-ethylcyclohexyl)-4-hydroxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(4-ethylcyclohexyl)-4-hydroxypiperidine-1-carboxylate (CID 104928472) is tert-butyl 3-(4-ethylcyclohexyl)-4-hydroxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(4-ethylcyclohexyl)-4-hydroxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(4-ethylcyclohexyl)-4-hydroxypiperidine-1-carboxylate is CCC1CCC(C2CN(C(=O)OC(C)(C)C)CCC2O)CC1.
What is the InChIKey of tert-butyl 3-(4-ethylcyclohexyl)-4-hydroxypiperidine-1-carboxylate?
The InChIKey is PANPBYKFOADRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO3/c1-5-13-6-8-14(9-7-13)15-12-19(11-10-16(15)20)17(21)22-18(2,3)4/h13-16,20H,5-12H2,1-4H3.
What are the key properties of tert-butyl 3-(4-ethylcyclohexyl)-4-hydroxypiperidine-1-carboxylate?
tert-butyl 3-(4-ethylcyclohexyl)-4-hydroxypiperidine-1-carboxylate has a molecular weight of 311.47 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(4-ethylcyclohexyl)-4-hydroxypiperidine-1-carboxylate is sourced from PubChem (CID 104928472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).