tert-butyl 2-(2-hydroxyethyl)piperidine-1-carboxylate;2-piperidin-2-ylethanol

C19H38N2O4 — CID 160536656

IUPACtert-butyl 2-(2-hydroxyethyl)piperidine-1-carboxylate;2-piperidin-2-ylethanol
SMILESCC(C)(C)OC(=O)N1CCCCC1CCO.OCCC1CCCCN1
InChIInChI=1S/C12H23NO3.C7H15NO/c1-12(2,3)16-11(15)13-8-5-4-6-10(13)7-9-14;9-6-4-7-3-1-2-5-8-7/h10,14H,4-9H2,1-3H3;7-9H,1-6H2
InChIKeyQWFYQAJCBRLDIA-UHFFFAOYSA-N
MW358.52 g/mol
LogP2.67
Rot. Bonds4

About tert-butyl 2-(2-hydroxyethyl)piperidine-1-carboxylate;2-piperidin-2-ylethanol

tert-butyl 2-(2-hydroxyethyl)piperidine-1-carboxylate;2-piperidin-2-ylethanol (PubChem CID 160536656) has the molecular formula C19H38N2O4 and a molecular weight of 358.52 g/mol. Its IUPAC name is tert-butyl 2-(2-hydroxyethyl)piperidine-1-carboxylate;2-piperidin-2-ylethanol.

Molecular Properties

Compound Nametert-butyl 2-(2-hydroxyethyl)piperidine-1-carboxylate;2-piperidin-2-ylethanol
PubChem CID160536656
Molecular FormulaC19H38N2O4
Molecular Weight358.52 g/mol
Exact Mass358.28
IUPAC Nametert-butyl 2-(2-hydroxyethyl)piperidine-1-carboxylate;2-piperidin-2-ylethanol
SMILESCC(C)(C)OC(=O)N1CCCCC1CCO.OCCC1CCCCN1
InChIInChI=1S/C12H23NO3.C7H15NO/c1-12(2,3)16-11(15)13-8-5-4-6-10(13)7-9-14;9-6-4-7-3-1-2-5-8-7/h10,14H,4-9H2,1-3H3;7-9H,1-6H2
InChIKeyQWFYQAJCBRLDIA-UHFFFAOYSA-N
XLogP2.67
TPSA82.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.52
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl (2S)-2-(2-hydroxyethyl)piperidine-1-carboxylate;2-[(2S)-piperidin-2-yl]ethanol;2,2,2-trifluoroacetic acid
CID 160536655
Ethyl 2-(2-hydroxyethyl)piperidine-1-carboxylate;methyl 2-(2-hydroxyethyl)piperidine-1-carboxylate
CID 53648869
tert-butyl 4-[[(1S,2S)-2-(hydroxymethyl)cyclohexyl]amino]piperidine-1-carboxylate
CID 57855304
tert-butyl (2R,5R)-2-(2-methoxyethyl)-5-(propan-2-ylamino)piperidine-1-carboxylate
CID 58376509
2-Methylpropyl 2-(2-hydroxyethyl)piperidine-1-carboxylate;piperidine-1-carboxylic acid
CID 66594029
{1-[2-(3-Hydroxy-8-aza-bicyclo[3.2.1]oct-8-yl)-ethyl]-piperidin-4-yl}-carbamic acid tert-butyl ester
CID 66841981
Tert-butyl 2-(hydroxymethyl)piperidine-1-carboxylate;2-piperidin-2-ylacetonitrile;hydrochloride
CID 68848035
Tert-butyl 4-[[(trans)-2-(hydroxymethyl)cyclohexyl]amino]piperidine-1-carboxylate
CID 68913176
Tert-butyl 4-[[2-(hydroxymethyl)cyclohexyl]amino]piperidine-1-carboxylate
CID 68913177
2-(2-Hydroxyethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid
CID 68920473
tert-butyl N-[(1S,3R)-3-[hydroxy-(4-hydroxypiperidin-1-yl)methyl]cyclohexyl]carbamate
CID 70868075
tert-butyl N-[1-hydroxy-5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pentyl]-N-piperidin-4-ylcarbamate
CID 91066901

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2-hydroxyethyl)piperidine-1-carboxylate;2-piperidin-2-ylethanol?
The IUPAC name of tert-butyl 2-(2-hydroxyethyl)piperidine-1-carboxylate;2-piperidin-2-ylethanol (CID 160536656) is tert-butyl 2-(2-hydroxyethyl)piperidine-1-carboxylate;2-piperidin-2-ylethanol.
What is the SMILES notation for tert-butyl 2-(2-hydroxyethyl)piperidine-1-carboxylate;2-piperidin-2-ylethanol?
The canonical SMILES for tert-butyl 2-(2-hydroxyethyl)piperidine-1-carboxylate;2-piperidin-2-ylethanol is CC(C)(C)OC(=O)N1CCCCC1CCO.OCCC1CCCCN1.
What is the InChIKey of tert-butyl 2-(2-hydroxyethyl)piperidine-1-carboxylate;2-piperidin-2-ylethanol?
The InChIKey is QWFYQAJCBRLDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3.C7H15NO/c1-12(2,3)16-11(15)13-8-5-4-6-10(13)7-9-14;9-6-4-7-3-1-2-5-8-7/h10,14H,4-9H2,1-3H3;7-9H,1-6H2.
What are the key properties of tert-butyl 2-(2-hydroxyethyl)piperidine-1-carboxylate;2-piperidin-2-ylethanol?
tert-butyl 2-(2-hydroxyethyl)piperidine-1-carboxylate;2-piperidin-2-ylethanol has a molecular weight of 358.52 g/mol, XLogP of 2.67, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2-hydroxyethyl)piperidine-1-carboxylate;2-piperidin-2-ylethanol is sourced from PubChem (CID 160536656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).