tert-butyl (3S)-3-(2-pyrimidin-2-yloxyethyl)piperidine-1-carboxylate

C16H25N3O3 — CID 97172143

IUPACtert-butyl (3S)-3-(2-pyrimidin-2-yloxyethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@H](CCOc2ncccn2)C1
InChIInChI=1S/C16H25N3O3/c1-16(2,3)22-15(20)19-10-4-6-13(12-19)7-11-21-14-17-8-5-9-18-14/h5,8-9,13H,4,6-7,10-12H2,1-3H3/t13-/m0/s1
InChIKeyDJXBIQCBDXPJCV-ZDUSSCGKSA-N
MW307.39 g/mol
LogP2.89
Rot. Bonds4

About tert-butyl (3S)-3-(2-pyrimidin-2-yloxyethyl)piperidine-1-carboxylate

tert-butyl (3S)-3-(2-pyrimidin-2-yloxyethyl)piperidine-1-carboxylate (PubChem CID 97172143) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is tert-butyl (3S)-3-(2-pyrimidin-2-yloxyethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S)-3-(2-pyrimidin-2-yloxyethyl)piperidine-1-carboxylate
PubChem CID97172143
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Nametert-butyl (3S)-3-(2-pyrimidin-2-yloxyethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@H](CCOc2ncccn2)C1
InChIInChI=1S/C16H25N3O3/c1-16(2,3)22-15(20)19-10-4-6-13(12-19)7-11-21-14-17-8-5-9-18-14/h5,8-9,13H,4,6-7,10-12H2,1-3H3/t13-/m0/s1
InChIKeyDJXBIQCBDXPJCV-ZDUSSCGKSA-N
XLogP2.89
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 3-[2-[(3-hydroxy-2-pyridinyl)oxy]ethyl]piperidine-1-carboxylate
CID 71631062
tert-butyl (3S)-3-[3-(5-chloropyrimidin-2-yl)oxypropyl]piperidine-1-carboxylate
CID 97172021
tert-butyl (3S)-3-(pyrimidin-2-ylmethyl)piperidine-1-carboxylate
CID 129390877
tert-butyl (3R)-3-[2-(2-oxo-2-pyridin-2-ylethoxy)ethyl]piperidine-1-carboxylate
CID 97172184
tert-butyl 3-(3-pyridin-2-yloxypropyl)piperidine-1-carboxylate
CID 71631003
tert-butyl (3R)-3-[2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]oxyethyl]piperidine-1-carboxylate
CID 99884415
tert-butyl (3S)-3-[3-[(3-hydroxy-2-pyridinyl)oxy]propyl]piperidine-1-carboxylate
CID 97172035
tert-butyl 3-[2-(1-pyridin-2-ylethoxy)ethyl]piperidine-1-carboxylate
CID 71633708
tert-butyl (3R)-3-[2-[(5-methyl-2-pyridinyl)oxy]ethyl]piperidine-1-carboxylate
CID 97176758
tert-butyl (3S)-3-(2-quinoxalin-2-yloxyethyl)piperidine-1-carboxylate
CID 97172159
tert-butyl (3S)-3-[2-(pyridin-3-ylmethoxy)ethyl]piperidine-1-carboxylate
CID 97172197
tert-butyl (3R)-3-[2-[3-(methylamino)quinoxalin-2-yl]oxyethyl]piperidine-1-carboxylate
CID 97167828

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-3-(2-pyrimidin-2-yloxyethyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3S)-3-(2-pyrimidin-2-yloxyethyl)piperidine-1-carboxylate (CID 97172143) is tert-butyl (3S)-3-(2-pyrimidin-2-yloxyethyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3S)-3-(2-pyrimidin-2-yloxyethyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3S)-3-(2-pyrimidin-2-yloxyethyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC[C@@H](CCOc2ncccn2)C1.
What is the InChIKey of tert-butyl (3S)-3-(2-pyrimidin-2-yloxyethyl)piperidine-1-carboxylate?
The InChIKey is DJXBIQCBDXPJCV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-16(2,3)22-15(20)19-10-4-6-13(12-19)7-11-21-14-17-8-5-9-18-14/h5,8-9,13H,4,6-7,10-12H2,1-3H3/t13-/m0/s1.
What are the key properties of tert-butyl (3S)-3-(2-pyrimidin-2-yloxyethyl)piperidine-1-carboxylate?
tert-butyl (3S)-3-(2-pyrimidin-2-yloxyethyl)piperidine-1-carboxylate has a molecular weight of 307.39 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S)-3-(2-pyrimidin-2-yloxyethyl)piperidine-1-carboxylate is sourced from PubChem (CID 97172143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).