tert-butyl (2S)-2-[[(1S)-1-pyridin-2-ylethoxy]methyl]piperidine-1-carboxylate

C18H28N2O3 — CID 97175851

IUPACtert-butyl (2S)-2-[[(1S)-1-pyridin-2-ylethoxy]methyl]piperidine-1-carboxylate
SMILESC[C@H](OC[C@@H]1CCCCN1C(=O)OC(C)(C)C)c1ccccn1
InChIInChI=1S/C18H28N2O3/c1-14(16-10-5-7-11-19-16)22-13-15-9-6-8-12-20(15)17(21)23-18(2,3)4/h5,7,10-11,14-15H,6,8-9,12-13H2,1-4H3/t14-,15-/m0/s1
InChIKeyCFWGBBIMAUKTRF-GJZGRUSLSA-N
MW320.43 g/mol
LogP3.95
Rot. Bonds4

About tert-butyl (2S)-2-[[(1S)-1-pyridin-2-ylethoxy]methyl]piperidine-1-carboxylate

tert-butyl (2S)-2-[[(1S)-1-pyridin-2-ylethoxy]methyl]piperidine-1-carboxylate (PubChem CID 97175851) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is tert-butyl (2S)-2-[[(1S)-1-pyridin-2-ylethoxy]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-[[(1S)-1-pyridin-2-ylethoxy]methyl]piperidine-1-carboxylate
PubChem CID97175851
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Nametert-butyl (2S)-2-[[(1S)-1-pyridin-2-ylethoxy]methyl]piperidine-1-carboxylate
SMILESC[C@H](OC[C@@H]1CCCCN1C(=O)OC(C)(C)C)c1ccccn1
InChIInChI=1S/C18H28N2O3/c1-14(16-10-5-7-11-19-16)22-13-15-9-6-8-12-20(15)17(21)23-18(2,3)4/h5,7,10-11,14-15H,6,8-9,12-13H2,1-4H3/t14-,15-/m0/s1
InChIKeyCFWGBBIMAUKTRF-GJZGRUSLSA-N
XLogP3.95
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (2R)-2-[[(1S)-1-pyrazin-2-ylethoxy]methyl]pyrrolidine-1-carboxylate
CID 97175905
tert-butyl (2R)-2-[[(1R)-1-(furan-2-yl)ethoxy]methyl]piperidine-1-carboxylate
CID 97175846
tert-butyl 2-[1-(furan-2-yl)ethoxymethyl]piperidine-1-carboxylate
CID 71633671
tert-butyl (3R)-3-[[(1R)-1-pyridin-2-ylethoxy]methyl]piperidine-1-carboxylate
CID 97175876
tert-butyl 3-(1-pyridin-2-ylethoxymethyl)pyrrolidine-1-carboxylate
CID 71633691
tert-butyl (2R)-2-[(pyridin-2-ylamino)methyl]piperidine-1-carboxylate
CID 95257239
tert-butyl (2S)-2-[(3-methoxyquinoxalin-2-yl)oxymethyl]piperidine-1-carboxylate
CID 97168351
tert-butyl (2S)-2-(difluoromethoxymethyl)piperidine-1-carboxylate
CID 134177579
tert-butyl (2S)-2-[(3-cyano-2-pyridinyl)oxymethyl]piperidine-1-carboxylate
CID 97173574
tert-butyl 4-[3-[(1R)-1-pyridin-2-ylethoxy]propyl]piperidine-1-carboxylate
CID 97176060
tert-butyl 2-[[methyl(pyridin-2-ylmethyl)amino]methyl]piperidine-1-carboxylate
CID 71647564
tert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidine-1-carboxylate
CID 175712806

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-[[(1S)-1-pyridin-2-ylethoxy]methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-2-[[(1S)-1-pyridin-2-ylethoxy]methyl]piperidine-1-carboxylate (CID 97175851) is tert-butyl (2S)-2-[[(1S)-1-pyridin-2-ylethoxy]methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-[[(1S)-1-pyridin-2-ylethoxy]methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-[[(1S)-1-pyridin-2-ylethoxy]methyl]piperidine-1-carboxylate is C[C@H](OC[C@@H]1CCCCN1C(=O)OC(C)(C)C)c1ccccn1.
What is the InChIKey of tert-butyl (2S)-2-[[(1S)-1-pyridin-2-ylethoxy]methyl]piperidine-1-carboxylate?
The InChIKey is CFWGBBIMAUKTRF-GJZGRUSLSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-14(16-10-5-7-11-19-16)22-13-15-9-6-8-12-20(15)17(21)23-18(2,3)4/h5,7,10-11,14-15H,6,8-9,12-13H2,1-4H3/t14-,15-/m0/s1.
What are the key properties of tert-butyl (2S)-2-[[(1S)-1-pyridin-2-ylethoxy]methyl]piperidine-1-carboxylate?
tert-butyl (2S)-2-[[(1S)-1-pyridin-2-ylethoxy]methyl]piperidine-1-carboxylate has a molecular weight of 320.43 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-[[(1S)-1-pyridin-2-ylethoxy]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 97175851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).