tert-butyl 4-[[(2S)-2-amino-3-methylbutoxy]methyl]piperidine-1-carboxylate

C16H32N2O3 — CID 69310570

IUPACtert-butyl 4-[[(2S)-2-amino-3-methylbutoxy]methyl]piperidine-1-carboxylate
SMILESCC(C)[C@H](N)COCC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C16H32N2O3/c1-12(2)14(17)11-20-10-13-6-8-18(9-7-13)15(19)21-16(3,4)5/h12-14H,6-11,17H2,1-5H3/t14-/m1/s1
InChIKeyJRFPRKWHWVIEDJ-CQSZACIVSA-N
MW300.44 g/mol
LogP2.63
Rot. Bonds5

About tert-butyl 4-[[(2S)-2-amino-3-methylbutoxy]methyl]piperidine-1-carboxylate

tert-butyl 4-[[(2S)-2-amino-3-methylbutoxy]methyl]piperidine-1-carboxylate (PubChem CID 69310570) has the molecular formula C16H32N2O3 and a molecular weight of 300.44 g/mol. Its IUPAC name is tert-butyl 4-[[(2S)-2-amino-3-methylbutoxy]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[(2S)-2-amino-3-methylbutoxy]methyl]piperidine-1-carboxylate
PubChem CID69310570
Molecular FormulaC16H32N2O3
Molecular Weight300.44 g/mol
Exact Mass300.24
IUPAC Nametert-butyl 4-[[(2S)-2-amino-3-methylbutoxy]methyl]piperidine-1-carboxylate
SMILESCC(C)[C@H](N)COCC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C16H32N2O3/c1-12(2)14(17)11-20-10-13-6-8-18(9-7-13)15(19)21-16(3,4)5/h12-14H,6-11,17H2,1-5H3/t14-/m1/s1
InChIKeyJRFPRKWHWVIEDJ-CQSZACIVSA-N
XLogP2.63
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.44
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[(2S)-2-amino-3-methylbutoxy]methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[(2S)-2-amino-3-methylbutoxy]methyl]piperidine-1-carboxylate (CID 69310570) is tert-butyl 4-[[(2S)-2-amino-3-methylbutoxy]methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[(2S)-2-amino-3-methylbutoxy]methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[(2S)-2-amino-3-methylbutoxy]methyl]piperidine-1-carboxylate is CC(C)[C@H](N)COCC1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[[(2S)-2-amino-3-methylbutoxy]methyl]piperidine-1-carboxylate?
The InChIKey is JRFPRKWHWVIEDJ-CQSZACIVSA-N. The full InChI is InChI=1S/C16H32N2O3/c1-12(2)14(17)11-20-10-13-6-8-18(9-7-13)15(19)21-16(3,4)5/h12-14H,6-11,17H2,1-5H3/t14-/m1/s1.
What are the key properties of tert-butyl 4-[[(2S)-2-amino-3-methylbutoxy]methyl]piperidine-1-carboxylate?
tert-butyl 4-[[(2S)-2-amino-3-methylbutoxy]methyl]piperidine-1-carboxylate has a molecular weight of 300.44 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[(2S)-2-amino-3-methylbutoxy]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 69310570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).