tert-butyl 4-(2-hydroxy-2-methylpentyl)piperidine-1-carboxylate

C16H31NO3 — CID 18423470

IUPACtert-butyl 4-(2-hydroxy-2-methylpentyl)piperidine-1-carboxylate
SMILESCCCC(C)(O)CC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C16H31NO3/c1-6-9-16(5,19)12-13-7-10-17(11-8-13)14(18)20-15(2,3)4/h13,19H,6-12H2,1-5H3
InChIKeyFCBFDCYWDSWOFB-UHFFFAOYSA-N
MW285.43 g/mol
LogP3.57
Rot. Bonds4

About tert-butyl 4-(2-hydroxy-2-methylpentyl)piperidine-1-carboxylate

tert-butyl 4-(2-hydroxy-2-methylpentyl)piperidine-1-carboxylate (PubChem CID 18423470) has the molecular formula C16H31NO3 and a molecular weight of 285.43 g/mol. Its IUPAC name is tert-butyl 4-(2-hydroxy-2-methylpentyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-hydroxy-2-methylpentyl)piperidine-1-carboxylate
PubChem CID18423470
Molecular FormulaC16H31NO3
Molecular Weight285.43 g/mol
Exact Mass285.23
IUPAC Nametert-butyl 4-(2-hydroxy-2-methylpentyl)piperidine-1-carboxylate
SMILESCCCC(C)(O)CC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C16H31NO3/c1-6-9-16(5,19)12-13-7-10-17(11-8-13)14(18)20-15(2,3)4/h13,19H,6-12H2,1-5H3
InChIKeyFCBFDCYWDSWOFB-UHFFFAOYSA-N
XLogP3.57
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-hydroxy-2-methylpentyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2-hydroxy-2-methylpentyl)piperidine-1-carboxylate (CID 18423470) is tert-butyl 4-(2-hydroxy-2-methylpentyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-hydroxy-2-methylpentyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2-hydroxy-2-methylpentyl)piperidine-1-carboxylate is CCCC(C)(O)CC1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(2-hydroxy-2-methylpentyl)piperidine-1-carboxylate?
The InChIKey is FCBFDCYWDSWOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO3/c1-6-9-16(5,19)12-13-7-10-17(11-8-13)14(18)20-15(2,3)4/h13,19H,6-12H2,1-5H3.
What are the key properties of tert-butyl 4-(2-hydroxy-2-methylpentyl)piperidine-1-carboxylate?
tert-butyl 4-(2-hydroxy-2-methylpentyl)piperidine-1-carboxylate has a molecular weight of 285.43 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-hydroxy-2-methylpentyl)piperidine-1-carboxylate is sourced from PubChem (CID 18423470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).