tert-butyl 4-[ethyl-[(3R,4S)-4-hydroxyoxolan-3-yl]amino]piperidine-1-carboxylate

C16H30N2O4 — CID 126846134

IUPACtert-butyl 4-[ethyl-[(3R,4S)-4-hydroxyoxolan-3-yl]amino]piperidine-1-carboxylate
SMILESCCN(C1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1COC[C@H]1O
InChIInChI=1S/C16H30N2O4/c1-5-18(13-10-21-11-14(13)19)12-6-8-17(9-7-12)15(20)22-16(2,3)4/h12-14,19H,5-11H2,1-4H3/t13-,14-/m1/s1
InChIKeyJPWMQPZOGYFFPY-ZIAGYGMSSA-N
MW314.43 g/mol
LogP1.47
Rot. Bonds3

About tert-butyl 4-[ethyl-[(3R,4S)-4-hydroxyoxolan-3-yl]amino]piperidine-1-carboxylate

tert-butyl 4-[ethyl-[(3R,4S)-4-hydroxyoxolan-3-yl]amino]piperidine-1-carboxylate (PubChem CID 126846134) has the molecular formula C16H30N2O4 and a molecular weight of 314.43 g/mol. Its IUPAC name is tert-butyl 4-[ethyl-[(3R,4S)-4-hydroxyoxolan-3-yl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[ethyl-[(3R,4S)-4-hydroxyoxolan-3-yl]amino]piperidine-1-carboxylate
PubChem CID126846134
Molecular FormulaC16H30N2O4
Molecular Weight314.43 g/mol
Exact Mass314.22
IUPAC Nametert-butyl 4-[ethyl-[(3R,4S)-4-hydroxyoxolan-3-yl]amino]piperidine-1-carboxylate
SMILESCCN(C1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1COC[C@H]1O
InChIInChI=1S/C16H30N2O4/c1-5-18(13-10-21-11-14(13)19)12-6-8-17(9-7-12)15(20)22-16(2,3)4/h12-14,19H,5-11H2,1-4H3/t13-,14-/m1/s1
InChIKeyJPWMQPZOGYFFPY-ZIAGYGMSSA-N
XLogP1.47
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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tert-butyl 4-[(2-chloroacetyl)-(oxan-4-yl)amino]piperidine-1-carboxylate
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tert-butyl 4-[2-aminopropanoyl(ethyl)amino]piperidine-1-carboxylate
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CID 119030188
tert-butyl 4-propan-2-ylpiperidine-1-carboxylate
CID 22899309
tert-butyl 4-[cyclopropyl(1,2-oxazol-3-ylmethyl)amino]piperidine-1-carboxylate
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tert-butyl (3R,4R)-4-fluoro-3-hydroxypiperidine-1-carboxylate
CID 67086934
tert-butyl 7-ethyl-1,4-oxazepane-4-carboxylate
CID 159190237
tert-butyl 4-[(1R,2S)-2-amino-1-hydroxybutyl]piperidine-1-carboxylate
CID 86336778

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[ethyl-[(3R,4S)-4-hydroxyoxolan-3-yl]amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[ethyl-[(3R,4S)-4-hydroxyoxolan-3-yl]amino]piperidine-1-carboxylate (CID 126846134) is tert-butyl 4-[ethyl-[(3R,4S)-4-hydroxyoxolan-3-yl]amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[ethyl-[(3R,4S)-4-hydroxyoxolan-3-yl]amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[ethyl-[(3R,4S)-4-hydroxyoxolan-3-yl]amino]piperidine-1-carboxylate is CCN(C1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1COC[C@H]1O.
What is the InChIKey of tert-butyl 4-[ethyl-[(3R,4S)-4-hydroxyoxolan-3-yl]amino]piperidine-1-carboxylate?
The InChIKey is JPWMQPZOGYFFPY-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H30N2O4/c1-5-18(13-10-21-11-14(13)19)12-6-8-17(9-7-12)15(20)22-16(2,3)4/h12-14,19H,5-11H2,1-4H3/t13-,14-/m1/s1.
What are the key properties of tert-butyl 4-[ethyl-[(3R,4S)-4-hydroxyoxolan-3-yl]amino]piperidine-1-carboxylate?
tert-butyl 4-[ethyl-[(3R,4S)-4-hydroxyoxolan-3-yl]amino]piperidine-1-carboxylate has a molecular weight of 314.43 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[ethyl-[(3R,4S)-4-hydroxyoxolan-3-yl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 126846134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).