tert-butyl 2-(hydroxymethyl)-3-(2-methylpropyl)piperidine-1-carboxylate

C15H29NO3 — CID 163245918

IUPACtert-butyl 2-(hydroxymethyl)-3-(2-methylpropyl)piperidine-1-carboxylate
SMILESCC(C)CC1CCCN(C(=O)OC(C)(C)C)C1CO
InChIInChI=1S/C15H29NO3/c1-11(2)9-12-7-6-8-16(13(12)10-17)14(18)19-15(3,4)5/h11-13,17H,6-10H2,1-5H3
InChIKeyZTDFLOUOICKQGI-UHFFFAOYSA-N
MW271.40 g/mol
LogP3.04
Rot. Bonds3

About tert-butyl 2-(hydroxymethyl)-3-(2-methylpropyl)piperidine-1-carboxylate

tert-butyl 2-(hydroxymethyl)-3-(2-methylpropyl)piperidine-1-carboxylate (PubChem CID 163245918) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is tert-butyl 2-(hydroxymethyl)-3-(2-methylpropyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(hydroxymethyl)-3-(2-methylpropyl)piperidine-1-carboxylate
PubChem CID163245918
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Nametert-butyl 2-(hydroxymethyl)-3-(2-methylpropyl)piperidine-1-carboxylate
SMILESCC(C)CC1CCCN(C(=O)OC(C)(C)C)C1CO
InChIInChI=1S/C15H29NO3/c1-11(2)9-12-7-6-8-16(13(12)10-17)14(18)19-15(3,4)5/h11-13,17H,6-10H2,1-5H3
InChIKeyZTDFLOUOICKQGI-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 (2S,3R)-3-hydroxy-2-(hydroxymethyl)piperidine-1-carboxylate
CID 11276298
(2S)-3-(hydroxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 57368640
(3S)-3-(hydroxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 45358665
tert-butyl 2-(2-methylpropyl)azetidine-1-carboxylate
CID 143769589
tert-butyl (2R)-2-[(2S)-2-hydroxypropyl]pyrrolidine-1-carboxylate
CID 72724635
tert-butyl 2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxylate
CID 67085705
tert-butyl 2,3-bis(cyanomethyl)piperidine-1-carboxylate
CID 175343955
2-[2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]acetic acid
CID 83851665
tert-butyl 3-amino-2-(fluoromethyl)piperidine-1-carboxylate
CID 155895330
tert-butyl 2-(3-methylbutanoyl)pyrrolidine-1-carboxylate
CID 82088746
tert-butyl 2-[(1S)-1-aminoethyl]-3-ethylpiperidine-1-carboxylate
CID 172559646
tert-butyl (2S,3R)-3-amino-2-[2-(dimethylamino)ethyl]piperidine-1-carboxylate
CID 82379100

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(hydroxymethyl)-3-(2-methylpropyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-(hydroxymethyl)-3-(2-methylpropyl)piperidine-1-carboxylate (CID 163245918) is tert-butyl 2-(hydroxymethyl)-3-(2-methylpropyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(hydroxymethyl)-3-(2-methylpropyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(hydroxymethyl)-3-(2-methylpropyl)piperidine-1-carboxylate is CC(C)CC1CCCN(C(=O)OC(C)(C)C)C1CO.
What is the InChIKey of tert-butyl 2-(hydroxymethyl)-3-(2-methylpropyl)piperidine-1-carboxylate?
The InChIKey is ZTDFLOUOICKQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-11(2)9-12-7-6-8-16(13(12)10-17)14(18)19-15(3,4)5/h11-13,17H,6-10H2,1-5H3.
What are the key properties of tert-butyl 2-(hydroxymethyl)-3-(2-methylpropyl)piperidine-1-carboxylate?
tert-butyl 2-(hydroxymethyl)-3-(2-methylpropyl)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 2-(hydroxymethyl)-3-(2-methylpropyl)piperidine-1-carboxylate is sourced from PubChem (CID 163245918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).