tert-butyl 3-(3-pyridin-2-yloxypropyl)piperidine-1-carboxylate

C18H28N2O3 — CID 71631003

IUPACtert-butyl 3-(3-pyridin-2-yloxypropyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(CCCOc2ccccn2)C1
InChIInChI=1S/C18H28N2O3/c1-18(2,3)23-17(21)20-12-6-8-15(14-20)9-7-13-22-16-10-4-5-11-19-16/h4-5,10-11,15H,6-9,12-14H2,1-3H3
InChIKeyDTWGPMWHHHRSBS-UHFFFAOYSA-N
MW320.43 g/mol
LogP3.89
Rot. Bonds5

About tert-butyl 3-(3-pyridin-2-yloxypropyl)piperidine-1-carboxylate

tert-butyl 3-(3-pyridin-2-yloxypropyl)piperidine-1-carboxylate (PubChem CID 71631003) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is tert-butyl 3-(3-pyridin-2-yloxypropyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(3-pyridin-2-yloxypropyl)piperidine-1-carboxylate
PubChem CID71631003
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Nametert-butyl 3-(3-pyridin-2-yloxypropyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(CCCOc2ccccn2)C1
InChIInChI=1S/C18H28N2O3/c1-18(2,3)23-17(21)20-12-6-8-15(14-20)9-7-13-22-16-10-4-5-11-19-16/h4-5,10-11,15H,6-9,12-14H2,1-3H3
InChIKeyDTWGPMWHHHRSBS-UHFFFAOYSA-N
XLogP3.89
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl (3S)-3-[3-(2-chloropyrimidin-4-yl)oxypropyl]piperidine-1-carboxylate
CID 97172013
tert-butyl (3S)-3-[3-[(3-hydroxy-2-pyridinyl)oxy]propyl]piperidine-1-carboxylate
CID 97172035
tert-butyl 3-[3-(6-chloropyrimidin-4-yl)oxypropyl]piperidine-1-carboxylate
CID 71631010
tert-butyl (3R)-3-[3-[(4-cyano-2-pyridinyl)oxy]propyl]piperidine-1-carboxylate
CID 97172024
tert-butyl (3R)-3-[2-(2-oxo-2-pyridin-2-ylethoxy)ethyl]piperidine-1-carboxylate
CID 97172184
tert-butyl (3S)-3-(2-pyrimidin-2-yloxyethyl)piperidine-1-carboxylate
CID 97172143
tert-butyl (3R)-3-[3-(3-ethoxyquinoxalin-2-yl)oxypropyl]piperidine-1-carboxylate
CID 97177775
tert-butyl 3-[2-(1-pyridin-2-ylethoxy)ethyl]piperidine-1-carboxylate
CID 71633708
tert-butyl 3-[3-(1,3-benzothiazol-2-yloxy)propyl]piperidine-1-carboxylate
CID 71631021
tert-butyl (3R)-3-pyridin-2-yloxypiperidine-1-carboxylate
CID 71630688
tert-butyl (3R)-3-[2-[(5-methyl-2-pyridinyl)oxy]ethyl]piperidine-1-carboxylate
CID 97176758
tert-butyl 3-[2-[(3-hydroxy-2-pyridinyl)oxy]ethyl]piperidine-1-carboxylate
CID 71631062

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(3-pyridin-2-yloxypropyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(3-pyridin-2-yloxypropyl)piperidine-1-carboxylate (CID 71631003) is tert-butyl 3-(3-pyridin-2-yloxypropyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(3-pyridin-2-yloxypropyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(3-pyridin-2-yloxypropyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC(CCCOc2ccccn2)C1.
What is the InChIKey of tert-butyl 3-(3-pyridin-2-yloxypropyl)piperidine-1-carboxylate?
The InChIKey is DTWGPMWHHHRSBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-18(2,3)23-17(21)20-12-6-8-15(14-20)9-7-13-22-16-10-4-5-11-19-16/h4-5,10-11,15H,6-9,12-14H2,1-3H3.
What are the key properties of tert-butyl 3-(3-pyridin-2-yloxypropyl)piperidine-1-carboxylate?
tert-butyl 3-(3-pyridin-2-yloxypropyl)piperidine-1-carboxylate has a molecular weight of 320.43 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(3-pyridin-2-yloxypropyl)piperidine-1-carboxylate is sourced from PubChem (CID 71631003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).