tert-butyl 2-(hydroxymethyl)piperidine-1-carboxylate;piperidin-2-ylmethanol

C17H34N2O4 — CID 158839226

IUPACtert-butyl 2-(hydroxymethyl)piperidine-1-carboxylate;piperidin-2-ylmethanol
SMILESCC(C)(C)OC(=O)N1CCCCC1CO.OCC1CCCCN1
InChIInChI=1S/C11H21NO3.C6H13NO/c1-11(2,3)15-10(14)12-7-5-4-6-9(12)8-13;8-5-6-3-1-2-4-7-6/h9,13H,4-8H2,1-3H3;6-8H,1-5H2
InChIKeyIYAHRDCLWITCBA-UHFFFAOYSA-N
MW330.47 g/mol
LogP1.89
Rot. Bonds2

About tert-butyl 2-(hydroxymethyl)piperidine-1-carboxylate;piperidin-2-ylmethanol

tert-butyl 2-(hydroxymethyl)piperidine-1-carboxylate;piperidin-2-ylmethanol (PubChem CID 158839226) has the molecular formula C17H34N2O4 and a molecular weight of 330.47 g/mol. Its IUPAC name is tert-butyl 2-(hydroxymethyl)piperidine-1-carboxylate;piperidin-2-ylmethanol.

Molecular Properties

Compound Nametert-butyl 2-(hydroxymethyl)piperidine-1-carboxylate;piperidin-2-ylmethanol
PubChem CID158839226
Molecular FormulaC17H34N2O4
Molecular Weight330.47 g/mol
Exact Mass330.25
IUPAC Nametert-butyl 2-(hydroxymethyl)piperidine-1-carboxylate;piperidin-2-ylmethanol
SMILESCC(C)(C)OC(=O)N1CCCCC1CO.OCC1CCCCN1
InChIInChI=1S/C11H21NO3.C6H13NO/c1-11(2,3)15-10(14)12-7-5-4-6-9(12)8-13;8-5-6-3-1-2-4-7-6/h9,13H,4-8H2,1-3H3;6-8H,1-5H2
InChIKeyIYAHRDCLWITCBA-UHFFFAOYSA-N
XLogP1.89
TPSA82.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 4-[[2-(hydroxymethyl)piperidine-1-carbonyl]amino]piperidine-1-carboxylate
CID 172434384
tert-Butyl (2S,4R)-rel-4-amino-2-(hydroxymethyl)piperidine-1-carboxylate
CID 124703608
1-Piperidinecarboxylic acid, 4-amino-2-(hydroxymethyl)-, 1,1-dimethylethyl ester, (2R,4S)-rel-
CID 131632226
tert-butyl (2S)-2-(2-hydroxyethyl)piperidine-1-carboxylate;2-[(2S)-piperidin-2-yl]ethanol;2,2,2-trifluoroacetic acid
CID 160536655
tert-butyl (2R)-4-amino-2-heptyl-5-hydroxypiperidine-1-carboxylate
CID 134835812
tert-butyl-[(5S)-6-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]carbamic acid
CID 57434488
tert-butyl 4-[[(2S)-2-hydroxycyclohexyl]amino]piperidine-1-carboxylate
CID 57855290
tert-butyl 4-[[(1R,2R)-2-hydroxycyclohexyl]amino]piperidine-1-carboxylate
CID 57855301
tert-butyl 4-((1S,2S)-2-hydroxycyclohexylamino)piperidine-1-carboxylate
CID 57949067
tert-butyl N-[(2S)-6-{[(tert-butoxy)carbonyl]amino}-1-hydroxyhexan-2-yl]carbamate
CID 59280265
tert-butyl N-[1-hydroxy-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-2-yl]carbamate
CID 59582143
{1-[2-((R)-3-Hydroxy-piperidin-1-yl)-ethyl]-piperidin-4-yl}-carbamic acid tert-butyl ester
CID 66842084

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(hydroxymethyl)piperidine-1-carboxylate;piperidin-2-ylmethanol?
The IUPAC name of tert-butyl 2-(hydroxymethyl)piperidine-1-carboxylate;piperidin-2-ylmethanol (CID 158839226) is tert-butyl 2-(hydroxymethyl)piperidine-1-carboxylate;piperidin-2-ylmethanol.
What is the SMILES notation for tert-butyl 2-(hydroxymethyl)piperidine-1-carboxylate;piperidin-2-ylmethanol?
The canonical SMILES for tert-butyl 2-(hydroxymethyl)piperidine-1-carboxylate;piperidin-2-ylmethanol is CC(C)(C)OC(=O)N1CCCCC1CO.OCC1CCCCN1.
What is the InChIKey of tert-butyl 2-(hydroxymethyl)piperidine-1-carboxylate;piperidin-2-ylmethanol?
The InChIKey is IYAHRDCLWITCBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3.C6H13NO/c1-11(2,3)15-10(14)12-7-5-4-6-9(12)8-13;8-5-6-3-1-2-4-7-6/h9,13H,4-8H2,1-3H3;6-8H,1-5H2.
What are the key properties of tert-butyl 2-(hydroxymethyl)piperidine-1-carboxylate;piperidin-2-ylmethanol?
tert-butyl 2-(hydroxymethyl)piperidine-1-carboxylate;piperidin-2-ylmethanol has a molecular weight of 330.47 g/mol, XLogP of 1.89, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(hydroxymethyl)piperidine-1-carboxylate;piperidin-2-ylmethanol is sourced from PubChem (CID 158839226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).