tert-butyl 4-[3-(2-hydroxyethyl)phenoxy]piperidine-1-carboxylate

C18H27NO4 — CID 129294526

IUPACtert-butyl 4-[3-(2-hydroxyethyl)phenoxy]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Oc2cccc(CCO)c2)CC1
InChIInChI=1S/C18H27NO4/c1-18(2,3)23-17(21)19-10-7-15(8-11-19)22-16-6-4-5-14(13-16)9-12-20/h4-6,13,15,20H,7-12H2,1-3H3
InChIKeyAISZNFFERRDNDR-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.00
Rot. Bonds4

About tert-butyl 4-[3-(2-hydroxyethyl)phenoxy]piperidine-1-carboxylate

tert-butyl 4-[3-(2-hydroxyethyl)phenoxy]piperidine-1-carboxylate (PubChem CID 129294526) has the molecular formula C18H27NO4 and a molecular weight of 321.42 g/mol. Its IUPAC name is tert-butyl 4-[3-(2-hydroxyethyl)phenoxy]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[3-(2-hydroxyethyl)phenoxy]piperidine-1-carboxylate
PubChem CID129294526
Molecular FormulaC18H27NO4
Molecular Weight321.42 g/mol
Exact Mass321.19
IUPAC Nametert-butyl 4-[3-(2-hydroxyethyl)phenoxy]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Oc2cccc(CCO)c2)CC1
InChIInChI=1S/C18H27NO4/c1-18(2,3)23-17(21)19-10-7-15(8-11-19)22-16-6-4-5-14(13-16)9-12-20/h4-6,13,15,20H,7-12H2,1-3H3
InChIKeyAISZNFFERRDNDR-UHFFFAOYSA-N
XLogP3.00
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (1S,5R)-3-[3-(2-hydroxyethyl)phenoxy]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 70661575
tert-butyl 4-[4-(hydroxymethyl)phenoxy]piperidine-1-carboxylate
CID 22632413
tert-butyl 4-[3-[(1R)-1-hydroxyethyl]phenoxy]piperidine-1-carboxylate
CID 124636293
tert-butyl 4-aminopiperidine-1-carboxylate;2-phenylethanol
CID 142239984
tert-butyl 4-[(3-phenylmethoxyphenyl)methoxy]piperidine-1-carboxylate
CID 171082503
tert-butyl 4-(4-amino-3-methylphenoxy)piperidine-1-carboxylate
CID 18542772
3-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]benzoic acid
CID 57421826
tert-butyl 3-[3-(dimethylamino)phenoxy]pyrrolidine-1-carboxylate
CID 24902561
1-[4-(3-ethylphenoxy)piperidin-1-yl]-3,3-dimethylbutan-1-one
CID 110420722
tert-butyl 4-(4-chloro-3-fluorophenoxy)piperidine-1-carboxylate
CID 24902450
2-[2-methoxy-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxyphenyl]acetic acid
CID 18914169
tert-butyl 4-(2-phenylmethoxyphenoxy)piperidine-1-carboxylate
CID 67313124

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[3-(2-hydroxyethyl)phenoxy]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[3-(2-hydroxyethyl)phenoxy]piperidine-1-carboxylate (CID 129294526) is tert-butyl 4-[3-(2-hydroxyethyl)phenoxy]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[3-(2-hydroxyethyl)phenoxy]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[3-(2-hydroxyethyl)phenoxy]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(Oc2cccc(CCO)c2)CC1.
What is the InChIKey of tert-butyl 4-[3-(2-hydroxyethyl)phenoxy]piperidine-1-carboxylate?
The InChIKey is AISZNFFERRDNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO4/c1-18(2,3)23-17(21)19-10-7-15(8-11-19)22-16-6-4-5-14(13-16)9-12-20/h4-6,13,15,20H,7-12H2,1-3H3.
What are the key properties of tert-butyl 4-[3-(2-hydroxyethyl)phenoxy]piperidine-1-carboxylate?
tert-butyl 4-[3-(2-hydroxyethyl)phenoxy]piperidine-1-carboxylate has a molecular weight of 321.42 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[3-(2-hydroxyethyl)phenoxy]piperidine-1-carboxylate is sourced from PubChem (CID 129294526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).