tert-butyl 1-(2-hydroxyethyl)piperidine-2-carboxylate

C12H23NO3 — CID 91125949

IUPACtert-butyl 1-(2-hydroxyethyl)piperidine-2-carboxylate
SMILESCC(C)(C)OC(=O)C1CCCCN1CCO
InChIInChI=1S/C12H23NO3/c1-12(2,3)16-11(15)10-6-4-5-7-13(10)8-9-14/h10,14H,4-9H2,1-3H3
InChIKeyLWNDCENDNHJTFF-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.17
Rot. Bonds3

About tert-butyl 1-(2-hydroxyethyl)piperidine-2-carboxylate

tert-butyl 1-(2-hydroxyethyl)piperidine-2-carboxylate (PubChem CID 91125949) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is tert-butyl 1-(2-hydroxyethyl)piperidine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-(2-hydroxyethyl)piperidine-2-carboxylate
PubChem CID91125949
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Nametert-butyl 1-(2-hydroxyethyl)piperidine-2-carboxylate
SMILESCC(C)(C)OC(=O)C1CCCCN1CCO
InChIInChI=1S/C12H23NO3/c1-12(2,3)16-11(15)10-6-4-5-7-13(10)8-9-14/h10,14H,4-9H2,1-3H3
InChIKeyLWNDCENDNHJTFF-UHFFFAOYSA-N
XLogP1.17
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 1-methylpiperidine-2-carboxylate
CID 566742
Methyl 1-methylpiperidine-2-carboxylate
CID 12957464
1-Tert-butyl 2-ethyl piperidine-1,2-dicarboxylate
CID 5080129
(S)-1-Cyano-piperidine-2-carboxylic acid tert-butyl ester
CID 44391458
Methyl1-(oxetan-3-yl)piperidine-2-carboxylate
CID 155943427
Ethyl 1-butylpiperidine-2-carboxylate
CID 3021002
methyl (2R)-1-methylpiperidine-2-carboxylate
CID 12957463
methyl (2S)-1-methylpiperidine-2-carboxylate
CID 59973291
Boc-piperidinol
CID 70122317
3-[4-[Bis(2-hydroxypropyl)amino]butyl]-4-(2-hydroxypropyl)-6-methylmorpholin-2-one
CID 123865659
6-(2-Hydroxyethyl)-9-oxa-6-azaspiro(4.5)decan-10-one
CID 413289
methyl (2R*,4S*)-1-(2-ethoxy-2-oxoethyl)-4-hydroxypiperidine-2-carboxylate
CID 133118263

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-(2-hydroxyethyl)piperidine-2-carboxylate?
The IUPAC name of tert-butyl 1-(2-hydroxyethyl)piperidine-2-carboxylate (CID 91125949) is tert-butyl 1-(2-hydroxyethyl)piperidine-2-carboxylate.
What is the SMILES notation for tert-butyl 1-(2-hydroxyethyl)piperidine-2-carboxylate?
The canonical SMILES for tert-butyl 1-(2-hydroxyethyl)piperidine-2-carboxylate is CC(C)(C)OC(=O)C1CCCCN1CCO.
What is the InChIKey of tert-butyl 1-(2-hydroxyethyl)piperidine-2-carboxylate?
The InChIKey is LWNDCENDNHJTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-12(2,3)16-11(15)10-6-4-5-7-13(10)8-9-14/h10,14H,4-9H2,1-3H3.
What are the key properties of tert-butyl 1-(2-hydroxyethyl)piperidine-2-carboxylate?
tert-butyl 1-(2-hydroxyethyl)piperidine-2-carboxylate has a molecular weight of 229.32 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-(2-hydroxyethyl)piperidine-2-carboxylate is sourced from PubChem (CID 91125949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).