tert-butyl (3R)-3-[[(1R)-1-pyridin-2-ylethoxy]methyl]piperidine-1-carboxylate

C18H28N2O3 — CID 97175876

IUPACtert-butyl (3R)-3-[[(1R)-1-pyridin-2-ylethoxy]methyl]piperidine-1-carboxylate
SMILESC[C@@H](OC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccccn1
InChIInChI=1S/C18H28N2O3/c1-14(16-9-5-6-10-19-16)22-13-15-8-7-11-20(12-15)17(21)23-18(2,3)4/h5-6,9-10,14-15H,7-8,11-13H2,1-4H3/t14-,15-/m1/s1
InChIKeyKXFIOSQLPIUOEG-HUUCEWRRSA-N
MW320.43 g/mol
LogP3.81
Rot. Bonds4

About tert-butyl (3R)-3-[[(1R)-1-pyridin-2-ylethoxy]methyl]piperidine-1-carboxylate

tert-butyl (3R)-3-[[(1R)-1-pyridin-2-ylethoxy]methyl]piperidine-1-carboxylate (PubChem CID 97175876) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is tert-butyl (3R)-3-[[(1R)-1-pyridin-2-ylethoxy]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-[[(1R)-1-pyridin-2-ylethoxy]methyl]piperidine-1-carboxylate
PubChem CID97175876
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Nametert-butyl (3R)-3-[[(1R)-1-pyridin-2-ylethoxy]methyl]piperidine-1-carboxylate
SMILESC[C@@H](OC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccccn1
InChIInChI=1S/C18H28N2O3/c1-14(16-9-5-6-10-19-16)22-13-15-8-7-11-20(12-15)17(21)23-18(2,3)4/h5-6,9-10,14-15H,7-8,11-13H2,1-4H3/t14-,15-/m1/s1
InChIKeyKXFIOSQLPIUOEG-HUUCEWRRSA-N
XLogP3.81
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 ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-(1-pyridin-2-ylethoxymethyl)pyrrolidine-1-carboxylate
CID 71633691
tert-butyl 3-[2-(1-pyridin-2-ylethoxy)ethyl]piperidine-1-carboxylate
CID 71633708
tert-butyl (3S)-3-[[(1S)-1-pyrazin-2-ylethoxy]methyl]piperidine-1-carboxylate
CID 97175881
tert-butyl 3-[(1-pyridin-2-ylethylamino)methyl]piperidine-1-carboxylate
CID 71633609
tert-butyl (3R)-3-[[(1S)-1-(1,3-thiazol-2-yl)ethoxy]methyl]piperidine-1-carboxylate
CID 97175883
tert-butyl (3R)-3-[[(1R)-1-pyrazin-2-ylethoxy]methyl]pyrrolidine-1-carboxylate
CID 97175928
tert-butyl 4-[3-[(1R)-1-pyridin-2-ylethoxy]propyl]piperidine-1-carboxylate
CID 97176060
tert-butyl (2S)-2-[[(1S)-1-pyridin-2-ylethoxy]methyl]piperidine-1-carboxylate
CID 97175851
tert-butyl (3R)-3-(phenoxymethyl)piperidine-1-carboxylate
CID 68644853
tert-butyl 3-[2-(1-pyrazin-2-ylethoxy)ethyl]piperidine-1-carboxylate
CID 71633709
tert-butyl (3S)-3-(pyridin-2-ylsulfanylmethyl)piperidine-1-carboxylate
CID 86331864
tert-butyl (3S)-3-(pyrimidin-2-ylmethyl)piperidine-1-carboxylate
CID 129390877

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-[[(1R)-1-pyridin-2-ylethoxy]methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-[[(1R)-1-pyridin-2-ylethoxy]methyl]piperidine-1-carboxylate (CID 97175876) is tert-butyl (3R)-3-[[(1R)-1-pyridin-2-ylethoxy]methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-[[(1R)-1-pyridin-2-ylethoxy]methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-[[(1R)-1-pyridin-2-ylethoxy]methyl]piperidine-1-carboxylate is C[C@@H](OC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccccn1.
What is the InChIKey of tert-butyl (3R)-3-[[(1R)-1-pyridin-2-ylethoxy]methyl]piperidine-1-carboxylate?
The InChIKey is KXFIOSQLPIUOEG-HUUCEWRRSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-14(16-9-5-6-10-19-16)22-13-15-8-7-11-20(12-15)17(21)23-18(2,3)4/h5-6,9-10,14-15H,7-8,11-13H2,1-4H3/t14-,15-/m1/s1.
What are the key properties of tert-butyl (3R)-3-[[(1R)-1-pyridin-2-ylethoxy]methyl]piperidine-1-carboxylate?
tert-butyl (3R)-3-[[(1R)-1-pyridin-2-ylethoxy]methyl]piperidine-1-carboxylate has a molecular weight of 320.43 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-[[(1R)-1-pyridin-2-ylethoxy]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 97175876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).