tert-butyl 4-hydroxy-3-(3-methylbutyl)piperidine-1-carboxylate

C15H29NO3 — CID 114451997

IUPACtert-butyl 4-hydroxy-3-(3-methylbutyl)piperidine-1-carboxylate
SMILESCC(C)CCC1CN(C(=O)OC(C)(C)C)CCC1O
InChIInChI=1S/C15H29NO3/c1-11(2)6-7-12-10-16(9-8-13(12)17)14(18)19-15(3,4)5/h11-13,17H,6-10H2,1-5H3
InChIKeyVZCVXECKKONCLF-UHFFFAOYSA-N
MW271.40 g/mol
LogP3.04
Rot. Bonds3

About tert-butyl 4-hydroxy-3-(3-methylbutyl)piperidine-1-carboxylate

tert-butyl 4-hydroxy-3-(3-methylbutyl)piperidine-1-carboxylate (PubChem CID 114451997) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is tert-butyl 4-hydroxy-3-(3-methylbutyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-hydroxy-3-(3-methylbutyl)piperidine-1-carboxylate
PubChem CID114451997
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Nametert-butyl 4-hydroxy-3-(3-methylbutyl)piperidine-1-carboxylate
SMILESCC(C)CCC1CN(C(=O)OC(C)(C)C)CCC1O
InChIInChI=1S/C15H29NO3/c1-11(2)6-7-12-10-16(9-8-13(12)17)14(18)19-15(3,4)5/h11-13,17H,6-10H2,1-5H3
InChIKeyVZCVXECKKONCLF-UHFFFAOYSA-N
XLogP3.04
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 3-butyl-4-hydroxypiperidine-1-carboxylate
CID 114452023
tert-butyl 3-(2-ethylsulfanylethyl)-4-hydroxypiperidine-1-carboxylate
CID 114452020
tert-butyl 4-hydroxy-3-(3-methylsulfanylpropyl)piperidine-1-carboxylate
CID 114452021
tert-butyl 4-hydroxy-3-(2-propylsulfonylethyl)piperidine-1-carboxylate
CID 106729052
tert-butyl (3S,4R)-4-hydroxy-3-propan-2-ylpiperidine-1-carboxylate
CID 155905155
tert-butyl (3S,4R)-4-amino-3-(2-methylpropyl)piperidine-1-carboxylate
CID 123134891
tert-butyl (4R)-4-hydroxy-3-methylpiperidine-1-carboxylate
CID 118535016
tert-butyl (3R)-3-[methyl(2-methylpropyl)amino]pyrrolidine-1-carboxylate
CID 68999630
tert-butyl (3S,4S)-3-bromo-4-hydroxypiperidine-1-carboxylate
CID 125183576
tert-butyl 4-hydroxy-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidine-1-carboxylate
CID 104928470
tert-butyl (3R,4R)-3-amino-4-propan-2-ylpiperidine-1-carboxylate
CID 76844460
2-[4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]azepan-3-yl]acetic acid
CID 83489039

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-hydroxy-3-(3-methylbutyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-hydroxy-3-(3-methylbutyl)piperidine-1-carboxylate (CID 114451997) is tert-butyl 4-hydroxy-3-(3-methylbutyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-hydroxy-3-(3-methylbutyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-hydroxy-3-(3-methylbutyl)piperidine-1-carboxylate is CC(C)CCC1CN(C(=O)OC(C)(C)C)CCC1O.
What is the InChIKey of tert-butyl 4-hydroxy-3-(3-methylbutyl)piperidine-1-carboxylate?
The InChIKey is VZCVXECKKONCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-11(2)6-7-12-10-16(9-8-13(12)17)14(18)19-15(3,4)5/h11-13,17H,6-10H2,1-5H3.
What are the key properties of tert-butyl 4-hydroxy-3-(3-methylbutyl)piperidine-1-carboxylate?
tert-butyl 4-hydroxy-3-(3-methylbutyl)piperidine-1-carboxylate has a molecular weight of 271.40 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-hydroxy-3-(3-methylbutyl)piperidine-1-carboxylate is sourced from PubChem (CID 114451997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).