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

C21H27NO4 — CID 69225070

IUPACtert-butyl 4-(furan-3-yl)-3-phenylmethoxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2ccoc2)C(OCc2ccccc2)C1
InChIInChI=1S/C21H27NO4/c1-21(2,3)26-20(23)22-11-9-18(17-10-12-24-15-17)19(13-22)25-14-16-7-5-4-6-8-16/h4-8,10,12,15,18-19H,9,11,13-14H2,1-3H3
InChIKeyNKDPGDWLLYZMID-UHFFFAOYSA-N
MW357.45 g/mol
LogP4.59
Rot. Bonds4

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

tert-butyl 4-(furan-3-yl)-3-phenylmethoxypiperidine-1-carboxylate (PubChem CID 69225070) has the molecular formula C21H27NO4 and a molecular weight of 357.45 g/mol. Its IUPAC name is tert-butyl 4-(furan-3-yl)-3-phenylmethoxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(furan-3-yl)-3-phenylmethoxypiperidine-1-carboxylate
PubChem CID69225070
Molecular FormulaC21H27NO4
Molecular Weight357.45 g/mol
Exact Mass357.19
IUPAC Nametert-butyl 4-(furan-3-yl)-3-phenylmethoxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2ccoc2)C(OCc2ccccc2)C1
InChIInChI=1S/C21H27NO4/c1-21(2,3)26-20(23)22-11-9-18(17-10-12-24-15-17)19(13-22)25-14-16-7-5-4-6-8-16/h4-8,10,12,15,18-19H,9,11,13-14H2,1-3H3
InChIKeyNKDPGDWLLYZMID-UHFFFAOYSA-N
XLogP4.59
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-(furan-3-yl)-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate
CID 69224292
tert-butyl 3-(cyclohexylmethoxy)-4-(furan-3-yl)piperidine-1-carboxylate
CID 72640505
tert-butyl 4-(furan-3-yl)-3-hexoxypiperidine-1-carboxylate
CID 91221582
tert-butyl 3-(2-cyclohexylethoxy)-4-(furan-3-yl)piperidine-1-carboxylate
CID 72640511
tert-butyl (3S,4R)-4-amino-3-phenylmethoxypiperidine-1-carboxylate
CID 91478771
tert-butyl 4-(furan-3-yl)-3-hydroxypiperidine-1-carboxylate
CID 59674744
3-[(4-bromophenyl)methoxy]-4-(furan-3-yl)piperidine-1-carboxylic acid
CID 69224206
tert-butyl 3-[(3-benzoylphenyl)methoxy]-4-(4-fluorophenyl)piperidine-1-carboxylate
CID 86604453
tert-butyl 3-[[4-(bromomethyl)phenyl]methoxy]-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidine-1-carboxylate
CID 54514912
tert-butyl 3-(naphthalen-2-ylmethoxy)-4-[4-(4-phenylmethoxybutoxy)phenyl]piperidine-1-carboxylate
CID 54446458
tert-butyl 4-[4-[2-(furan-3-carbonyloxy)ethoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate
CID 22126969
tert-butyl (3R,4R)-3-hydroxy-4-(4-phenylmethoxyphenyl)piperidine-1-carboxylate
CID 52910991

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(furan-3-yl)-3-phenylmethoxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(furan-3-yl)-3-phenylmethoxypiperidine-1-carboxylate (CID 69225070) is tert-butyl 4-(furan-3-yl)-3-phenylmethoxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(furan-3-yl)-3-phenylmethoxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(furan-3-yl)-3-phenylmethoxypiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2ccoc2)C(OCc2ccccc2)C1.
What is the InChIKey of tert-butyl 4-(furan-3-yl)-3-phenylmethoxypiperidine-1-carboxylate?
The InChIKey is NKDPGDWLLYZMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO4/c1-21(2,3)26-20(23)22-11-9-18(17-10-12-24-15-17)19(13-22)25-14-16-7-5-4-6-8-16/h4-8,10,12,15,18-19H,9,11,13-14H2,1-3H3.
What are the key properties of tert-butyl 4-(furan-3-yl)-3-phenylmethoxypiperidine-1-carboxylate?
tert-butyl 4-(furan-3-yl)-3-phenylmethoxypiperidine-1-carboxylate has a molecular weight of 357.45 g/mol, XLogP of 4.59, 4 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-phenylmethoxypiperidine-1-carboxylate is sourced from PubChem (CID 69225070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).