methyl 2-(2,2-dimethylpropyl)-4-(hydroxymethyl)piperidine-1-carboxylate

C13H25NO3 — CID 66731661

IUPACmethyl 2-(2,2-dimethylpropyl)-4-(hydroxymethyl)piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(CO)CC1CC(C)(C)C
InChIInChI=1S/C13H25NO3/c1-13(2,3)8-11-7-10(9-15)5-6-14(11)12(16)17-4/h10-11,15H,5-9H2,1-4H3
InChIKeyKPSLIPKCTNZFLJ-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.26
Rot. Bonds2

About methyl 2-(2,2-dimethylpropyl)-4-(hydroxymethyl)piperidine-1-carboxylate

methyl 2-(2,2-dimethylpropyl)-4-(hydroxymethyl)piperidine-1-carboxylate (PubChem CID 66731661) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is methyl 2-(2,2-dimethylpropyl)-4-(hydroxymethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2,2-dimethylpropyl)-4-(hydroxymethyl)piperidine-1-carboxylate
PubChem CID66731661
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Namemethyl 2-(2,2-dimethylpropyl)-4-(hydroxymethyl)piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(CO)CC1CC(C)(C)C
InChIInChI=1S/C13H25NO3/c1-13(2,3)8-11-7-10(9-15)5-6-14(11)12(16)17-4/h10-11,15H,5-9H2,1-4H3
InChIKeyKPSLIPKCTNZFLJ-UHFFFAOYSA-N
XLogP2.26
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-(hydroxymethyl)-2-(methoxymethyl)piperidine-1-carboxylate
CID 172691809
methyl 4-tert-butyl-2-(hydroxymethyl)piperazine-1-carboxylate
CID 58311600
methyl 2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxylate
CID 102738593
[(1R,3R)-3-(2,2-dimethylpropyl)cyclopentyl]methanol
CID 59479700
tert-butyl 4-ethyl-2-(3-methoxy-2,3-dioxopropyl)piperidine-1-carboxylate
CID 104921875
tert-butyl (2R)-2-(hydroxymethyl)azetidine-1-carboxylate
CID 11074142
methyl 2-methoxyazetidine-1-carboxylate
CID 139914058
tert-butyl (2R,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(hydroxymethyl)piperidine-1-carboxylate
CID 150868711
methyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylpiperidine-1-carboxylate
CID 66732037
1-O-tert-butyl 4-O-methyl (2R,4R)-2-(piperidin-4-ylmethyl)piperidine-1,4-dicarboxylate
CID 124634113
1-O-tert-butyl 4-O-methyl 2-(piperidin-4-ylmethyl)piperidine-1,4-dicarboxylate
CID 53404805
dimethyl (2S,4S)-2-[[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]piperidine-1,4-dicarboxylate
CID 124563748

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,2-dimethylpropyl)-4-(hydroxymethyl)piperidine-1-carboxylate?
The IUPAC name of methyl 2-(2,2-dimethylpropyl)-4-(hydroxymethyl)piperidine-1-carboxylate (CID 66731661) is methyl 2-(2,2-dimethylpropyl)-4-(hydroxymethyl)piperidine-1-carboxylate.
What is the SMILES notation for methyl 2-(2,2-dimethylpropyl)-4-(hydroxymethyl)piperidine-1-carboxylate?
The canonical SMILES for methyl 2-(2,2-dimethylpropyl)-4-(hydroxymethyl)piperidine-1-carboxylate is COC(=O)N1CCC(CO)CC1CC(C)(C)C.
What is the InChIKey of methyl 2-(2,2-dimethylpropyl)-4-(hydroxymethyl)piperidine-1-carboxylate?
The InChIKey is KPSLIPKCTNZFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-13(2,3)8-11-7-10(9-15)5-6-14(11)12(16)17-4/h10-11,15H,5-9H2,1-4H3.
What are the key properties of methyl 2-(2,2-dimethylpropyl)-4-(hydroxymethyl)piperidine-1-carboxylate?
methyl 2-(2,2-dimethylpropyl)-4-(hydroxymethyl)piperidine-1-carboxylate has a molecular weight of 243.35 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,2-dimethylpropyl)-4-(hydroxymethyl)piperidine-1-carboxylate is sourced from PubChem (CID 66731661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).