tert-butyl 4-(5-hydroxy-4-methylpentan-2-yl)piperidine-1-carboxylate

C16H31NO3 — CID 142325179

IUPACtert-butyl 4-(5-hydroxy-4-methylpentan-2-yl)piperidine-1-carboxylate
SMILESCC(CO)CC(C)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C16H31NO3/c1-12(11-18)10-13(2)14-6-8-17(9-7-14)15(19)20-16(3,4)5/h12-14,18H,6-11H2,1-5H3
InChIKeyPQXNPTWEWCWYDG-UHFFFAOYSA-N
MW285.43 g/mol
LogP3.29
Rot. Bonds4

About tert-butyl 4-(5-hydroxy-4-methylpentan-2-yl)piperidine-1-carboxylate

tert-butyl 4-(5-hydroxy-4-methylpentan-2-yl)piperidine-1-carboxylate (PubChem CID 142325179) has the molecular formula C16H31NO3 and a molecular weight of 285.43 g/mol. Its IUPAC name is tert-butyl 4-(5-hydroxy-4-methylpentan-2-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(5-hydroxy-4-methylpentan-2-yl)piperidine-1-carboxylate
PubChem CID142325179
Molecular FormulaC16H31NO3
Molecular Weight285.43 g/mol
Exact Mass285.23
IUPAC Nametert-butyl 4-(5-hydroxy-4-methylpentan-2-yl)piperidine-1-carboxylate
SMILESCC(CO)CC(C)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C16H31NO3/c1-12(11-18)10-13(2)14-6-8-17(9-7-14)15(19)20-16(3,4)5/h12-14,18H,6-11H2,1-5H3
InChIKeyPQXNPTWEWCWYDG-UHFFFAOYSA-N
XLogP3.29
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 ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-propan-2-ylpiperidine-1-carboxylate
CID 22899309
tert-butyl 4-(1,3-dihydroxypropyl)piperidine-1-carboxylate
CID 22293485
tert-butyl 4-(1-methoxyethyl)piperidine-1-carboxylate;propane
CID 155573661
tert-butyl 4-[(1S)-1-iodoethyl]piperidine-1-carboxylate
CID 97175280
tert-butyl (3S)-3-propan-2-ylpyrrolidine-1-carboxylate
CID 139452592
tert-butyl 4-[(1S)-1-sulfanylethyl]piperidine-1-carboxylate
CID 97176087
tert-butyl 3-(1-aminopropan-2-yl)pyrrolidine-1-carboxylate
CID 82391180
tert-butyl 4-[1-hydroxy-2-(propan-2-ylamino)ethyl]piperidine-1-carboxylate
CID 129073944
tert-butyl 4-(2-fluoro-3-hydroxypropyl)piperidine-1-carboxylate
CID 53302080
tert-butyl 4-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]piperidine-1-carboxylate
CID 110019957
tert-butyl 3-(3-hydroxy-2-methylpropyl)azetidine-1-carboxylate
CID 68759266
tert-butyl 4-[(2R)-2-hydroxypropyl]piperidine-1-carboxylate
CID 70116186

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(5-hydroxy-4-methylpentan-2-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(5-hydroxy-4-methylpentan-2-yl)piperidine-1-carboxylate (CID 142325179) is tert-butyl 4-(5-hydroxy-4-methylpentan-2-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(5-hydroxy-4-methylpentan-2-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(5-hydroxy-4-methylpentan-2-yl)piperidine-1-carboxylate is CC(CO)CC(C)C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(5-hydroxy-4-methylpentan-2-yl)piperidine-1-carboxylate?
The InChIKey is PQXNPTWEWCWYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO3/c1-12(11-18)10-13(2)14-6-8-17(9-7-14)15(19)20-16(3,4)5/h12-14,18H,6-11H2,1-5H3.
What are the key properties of tert-butyl 4-(5-hydroxy-4-methylpentan-2-yl)piperidine-1-carboxylate?
tert-butyl 4-(5-hydroxy-4-methylpentan-2-yl)piperidine-1-carboxylate has a molecular weight of 285.43 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(5-hydroxy-4-methylpentan-2-yl)piperidine-1-carboxylate is sourced from PubChem (CID 142325179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).