tert-butyl 2-(2-hydroxy-5,5-dimethylcyclohexyl)piperidine-1-carboxylate

C18H33NO3 — CID 103724643

IUPACtert-butyl 2-(2-hydroxy-5,5-dimethylcyclohexyl)piperidine-1-carboxylate
SMILESCC1(C)CCC(O)C(C2CCCCN2C(=O)OC(C)(C)C)C1
InChIInChI=1S/C18H33NO3/c1-17(2,3)22-16(21)19-11-7-6-8-14(19)13-12-18(4,5)10-9-15(13)20/h13-15,20H,6-12H2,1-5H3
InChIKeyJNVNWMQMYZUHPV-UHFFFAOYSA-N
MW311.47 g/mol
LogP3.96
Rot. Bonds1

About tert-butyl 2-(2-hydroxy-5,5-dimethylcyclohexyl)piperidine-1-carboxylate

tert-butyl 2-(2-hydroxy-5,5-dimethylcyclohexyl)piperidine-1-carboxylate (PubChem CID 103724643) has the molecular formula C18H33NO3 and a molecular weight of 311.47 g/mol. Its IUPAC name is tert-butyl 2-(2-hydroxy-5,5-dimethylcyclohexyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(2-hydroxy-5,5-dimethylcyclohexyl)piperidine-1-carboxylate
PubChem CID103724643
Molecular FormulaC18H33NO3
Molecular Weight311.47 g/mol
Exact Mass311.25
IUPAC Nametert-butyl 2-(2-hydroxy-5,5-dimethylcyclohexyl)piperidine-1-carboxylate
SMILESCC1(C)CCC(O)C(C2CCCCN2C(=O)OC(C)(C)C)C1
InChIInChI=1S/C18H33NO3/c1-17(2,3)22-16(21)19-11-7-6-8-14(19)13-12-18(4,5)10-9-15(13)20/h13-15,20H,6-12H2,1-5H3
InChIKeyJNVNWMQMYZUHPV-UHFFFAOYSA-N
XLogP3.96
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2-hydroxy-5,5-dimethylcyclohexyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-(2-hydroxy-5,5-dimethylcyclohexyl)piperidine-1-carboxylate (CID 103724643) is tert-butyl 2-(2-hydroxy-5,5-dimethylcyclohexyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(2-hydroxy-5,5-dimethylcyclohexyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(2-hydroxy-5,5-dimethylcyclohexyl)piperidine-1-carboxylate is CC1(C)CCC(O)C(C2CCCCN2C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 2-(2-hydroxy-5,5-dimethylcyclohexyl)piperidine-1-carboxylate?
The InChIKey is JNVNWMQMYZUHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO3/c1-17(2,3)22-16(21)19-11-7-6-8-14(19)13-12-18(4,5)10-9-15(13)20/h13-15,20H,6-12H2,1-5H3.
What are the key properties of tert-butyl 2-(2-hydroxy-5,5-dimethylcyclohexyl)piperidine-1-carboxylate?
tert-butyl 2-(2-hydroxy-5,5-dimethylcyclohexyl)piperidine-1-carboxylate has a molecular weight of 311.47 g/mol, XLogP of 3.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2-hydroxy-5,5-dimethylcyclohexyl)piperidine-1-carboxylate is sourced from PubChem (CID 103724643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).