tert-butyl 4-(furan-3-yl)-3-hexoxypiperidine-1-carboxylate

C20H33NO4 — CID 91221582

IUPACtert-butyl 4-(furan-3-yl)-3-hexoxypiperidine-1-carboxylate
SMILESCCCCCCOC1CN(C(=O)OC(C)(C)C)CCC1c1ccoc1
InChIInChI=1S/C20H33NO4/c1-5-6-7-8-12-24-18-14-21(19(22)25-20(2,3)4)11-9-17(18)16-10-13-23-15-16/h10,13,15,17-18H,5-9,11-12,14H2,1-4H3
InChIKeyMUKXOVBKOUONLF-UHFFFAOYSA-N
MW351.49 g/mol
LogP4.97
Rot. Bonds7

About tert-butyl 4-(furan-3-yl)-3-hexoxypiperidine-1-carboxylate

tert-butyl 4-(furan-3-yl)-3-hexoxypiperidine-1-carboxylate (PubChem CID 91221582) has the molecular formula C20H33NO4 and a molecular weight of 351.49 g/mol. Its IUPAC name is tert-butyl 4-(furan-3-yl)-3-hexoxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(furan-3-yl)-3-hexoxypiperidine-1-carboxylate
PubChem CID91221582
Molecular FormulaC20H33NO4
Molecular Weight351.49 g/mol
Exact Mass351.24
IUPAC Nametert-butyl 4-(furan-3-yl)-3-hexoxypiperidine-1-carboxylate
SMILESCCCCCCOC1CN(C(=O)OC(C)(C)C)CCC1c1ccoc1
InChIInChI=1S/C20H33NO4/c1-5-6-7-8-12-24-18-14-21(19(22)25-20(2,3)4)11-9-17(18)16-10-13-23-15-16/h10,13,15,17-18H,5-9,11-12,14H2,1-4H3
InChIKeyMUKXOVBKOUONLF-UHFFFAOYSA-N
XLogP4.97
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 54.97
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 3-(2-cyclohexylethoxy)-4-(furan-3-yl)piperidine-1-carboxylate
CID 72640511
tert-butyl 4-(furan-3-yl)-3-phenylmethoxypiperidine-1-carboxylate
CID 69225070
tert-butyl 3-(cyclohexylmethoxy)-4-(furan-3-yl)piperidine-1-carboxylate
CID 72640505
tert-butyl 4-(furan-3-yl)-3-hydroxypiperidine-1-carboxylate
CID 59674744
tert-butyl 4-(furan-3-yl)-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate
CID 69224292
tert-butyl 3-(aminomethyl)-4-(furan-3-yl)pyrrolidine-1-carboxylate
CID 76520777
tert-butyl (3S,4R)-4-(4-butoxyphenyl)-3-fluoropiperidine-1-carboxylate
CID 118221140
tert-butyl 3-(furan-3-yl)piperazine-1-carboxylate
CID 131227560
tert-butyl 4-[4-[2-(furan-3-carbonyloxy)ethoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate
CID 22126969
tert-butyl 3-[1-amino-2-(furan-3-yl)ethyl]pyrrolidine-1-carboxylate
CID 107092663
tert-butyl (3R)-3-[[ethyl(furan-3-ylmethyl)carbamoyl]amino]pyrrolidine-1-carboxylate
CID 96516592
tert-butyl 3-(1-hydroxynonyl)pyrrolidine-1-carboxylate
CID 107092858

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(furan-3-yl)-3-hexoxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(furan-3-yl)-3-hexoxypiperidine-1-carboxylate (CID 91221582) is tert-butyl 4-(furan-3-yl)-3-hexoxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(furan-3-yl)-3-hexoxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(furan-3-yl)-3-hexoxypiperidine-1-carboxylate is CCCCCCOC1CN(C(=O)OC(C)(C)C)CCC1c1ccoc1.
What is the InChIKey of tert-butyl 4-(furan-3-yl)-3-hexoxypiperidine-1-carboxylate?
The InChIKey is MUKXOVBKOUONLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO4/c1-5-6-7-8-12-24-18-14-21(19(22)25-20(2,3)4)11-9-17(18)16-10-13-23-15-16/h10,13,15,17-18H,5-9,11-12,14H2,1-4H3.
What are the key properties of tert-butyl 4-(furan-3-yl)-3-hexoxypiperidine-1-carboxylate?
tert-butyl 4-(furan-3-yl)-3-hexoxypiperidine-1-carboxylate has a molecular weight of 351.49 g/mol, XLogP of 4.97, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(furan-3-yl)-3-hexoxypiperidine-1-carboxylate is sourced from PubChem (CID 91221582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).