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

C19H30N2O3 — CID 71633708

IUPACtert-butyl 3-[2-(1-pyridin-2-ylethoxy)ethyl]piperidine-1-carboxylate
SMILESCC(OCCC1CCCN(C(=O)OC(C)(C)C)C1)c1ccccn1
InChIInChI=1S/C19H30N2O3/c1-15(17-9-5-6-11-20-17)23-13-10-16-8-7-12-21(14-16)18(22)24-19(2,3)4/h5-6,9,11,15-16H,7-8,10,12-14H2,1-4H3
InChIKeyATCIWYGECNPJNW-UHFFFAOYSA-N
MW334.46 g/mol
LogP4.20
Rot. Bonds5

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

tert-butyl 3-[2-(1-pyridin-2-ylethoxy)ethyl]piperidine-1-carboxylate (PubChem CID 71633708) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is tert-butyl 3-[2-(1-pyridin-2-ylethoxy)ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[2-(1-pyridin-2-ylethoxy)ethyl]piperidine-1-carboxylate
PubChem CID71633708
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Nametert-butyl 3-[2-(1-pyridin-2-ylethoxy)ethyl]piperidine-1-carboxylate
SMILESCC(OCCC1CCCN(C(=O)OC(C)(C)C)C1)c1ccccn1
InChIInChI=1S/C19H30N2O3/c1-15(17-9-5-6-11-20-17)23-13-10-16-8-7-12-21(14-16)18(22)24-19(2,3)4/h5-6,9,11,15-16H,7-8,10,12-14H2,1-4H3
InChIKeyATCIWYGECNPJNW-UHFFFAOYSA-N
XLogP4.20
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (3R)-3-[[(1R)-1-pyridin-2-ylethoxy]methyl]piperidine-1-carboxylate
CID 97175876
tert-butyl 3-[2-(1-pyrazin-2-ylethoxy)ethyl]piperidine-1-carboxylate
CID 71633709
tert-butyl 3-(1-pyridin-2-ylethoxymethyl)pyrrolidine-1-carboxylate
CID 71633691
tert-butyl 4-[3-[(1R)-1-pyridin-2-ylethoxy]propyl]piperidine-1-carboxylate
CID 97176060
tert-butyl 3-[(1-pyridin-2-ylethylamino)methyl]piperidine-1-carboxylate
CID 71633609
tert-butyl (3R)-3-[2-(2-oxo-2-pyridin-2-ylethoxy)ethyl]piperidine-1-carboxylate
CID 97172184
tert-butyl 3-[2-[1-(1H-pyrrol-2-yl)ethoxy]ethyl]piperidine-1-carboxylate
CID 71633705
tert-butyl (3S)-3-(2-pyrimidin-2-yloxyethyl)piperidine-1-carboxylate
CID 97172143
tert-butyl 3-(3-pyridin-2-yloxypropyl)piperidine-1-carboxylate
CID 71631003
tert-butyl 3-[2-[(3-hydroxy-2-pyridinyl)oxy]ethyl]piperidine-1-carboxylate
CID 71631062
tert-butyl (3S)-3-[[(1S)-1-pyrazin-2-ylethoxy]methyl]piperidine-1-carboxylate
CID 97175881
tert-butyl (3S)-3-[3-[(3-hydroxy-2-pyridinyl)oxy]propyl]piperidine-1-carboxylate
CID 97172035

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[2-(1-pyridin-2-ylethoxy)ethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[2-(1-pyridin-2-ylethoxy)ethyl]piperidine-1-carboxylate (CID 71633708) is tert-butyl 3-[2-(1-pyridin-2-ylethoxy)ethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[2-(1-pyridin-2-ylethoxy)ethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[2-(1-pyridin-2-ylethoxy)ethyl]piperidine-1-carboxylate is CC(OCCC1CCCN(C(=O)OC(C)(C)C)C1)c1ccccn1.
What is the InChIKey of tert-butyl 3-[2-(1-pyridin-2-ylethoxy)ethyl]piperidine-1-carboxylate?
The InChIKey is ATCIWYGECNPJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-15(17-9-5-6-11-20-17)23-13-10-16-8-7-12-21(14-16)18(22)24-19(2,3)4/h5-6,9,11,15-16H,7-8,10,12-14H2,1-4H3.
What are the key properties of tert-butyl 3-[2-(1-pyridin-2-ylethoxy)ethyl]piperidine-1-carboxylate?
tert-butyl 3-[2-(1-pyridin-2-ylethoxy)ethyl]piperidine-1-carboxylate has a molecular weight of 334.46 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[2-(1-pyridin-2-ylethoxy)ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 71633708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).