tert-butyl 4-[[4-(2-fluoroethoxy)-3-methoxyphenyl]-hydroxy-phenylmethyl]piperidine-1-carboxylate

C26H34FNO5 — CID 154634646

IUPACtert-butyl 4-[[4-(2-fluoroethoxy)-3-methoxyphenyl]-hydroxy-phenylmethyl]piperidine-1-carboxylate
SMILESCOc1cc(C(O)(c2ccccc2)C2CCN(C(=O)OC(C)(C)C)CC2)ccc1OCCF
InChIInChI=1S/C26H34FNO5/c1-25(2,3)33-24(29)28-15-12-20(13-16-28)26(30,19-8-6-5-7-9-19)21-10-11-22(32-17-14-27)23(18-21)31-4/h5-11,18,20,30H,12-17H2,1-4H3
InChIKeyAEFQAKPEMKLLPY-UHFFFAOYSA-N
MW459.56 g/mol
LogP4.93
Rot. Bonds7

About tert-butyl 4-[[4-(2-fluoroethoxy)-3-methoxyphenyl]-hydroxy-phenylmethyl]piperidine-1-carboxylate

tert-butyl 4-[[4-(2-fluoroethoxy)-3-methoxyphenyl]-hydroxy-phenylmethyl]piperidine-1-carboxylate (PubChem CID 154634646) has the molecular formula C26H34FNO5 and a molecular weight of 459.56 g/mol. Its IUPAC name is tert-butyl 4-[[4-(2-fluoroethoxy)-3-methoxyphenyl]-hydroxy-phenylmethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[4-(2-fluoroethoxy)-3-methoxyphenyl]-hydroxy-phenylmethyl]piperidine-1-carboxylate
PubChem CID154634646
Molecular FormulaC26H34FNO5
Molecular Weight459.56 g/mol
Exact Mass459.24
IUPAC Nametert-butyl 4-[[4-(2-fluoroethoxy)-3-methoxyphenyl]-hydroxy-phenylmethyl]piperidine-1-carboxylate
SMILESCOc1cc(C(O)(c2ccccc2)C2CCN(C(=O)OC(C)(C)C)CC2)ccc1OCCF
InChIInChI=1S/C26H34FNO5/c1-25(2,3)33-24(29)28-15-12-20(13-16-28)26(30,19-8-6-5-7-9-19)21-10-11-22(32-17-14-27)23(18-21)31-4/h5-11,18,20,30H,12-17H2,1-4H3
InChIKeyAEFQAKPEMKLLPY-UHFFFAOYSA-N
XLogP4.93
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.56
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 4-[[4-(2-fluoroethoxy)-3-methoxyphenyl]-hydroxy-phenylmethyl]piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[4-(2-fluoroethoxy)-3-methoxyphenyl]-hydroxy-phenylmethyl]piperidine-1-carboxylic acid
CID 155162933
4-[(S)-[4-(2-fluoroethoxy)-3-methoxyphenyl]-hydroxy-phenylmethyl]piperidine-1-carboxylic acid
CID 155162920
tert-butyl 4-[(S)-(4-fluorophenyl)-hydroxy-phenylmethyl]piperidine-1-carboxylate
CID 155162953
benzyl 4-[bis(3,4-dimethoxyphenyl)-hydroxymethyl]piperidine-1-carboxylate
CID 45104642
tert-butyl 4-[2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-2-oxoethyl]piperidine-1-carboxylate
CID 58591086
[1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-diphenylmethanol
CID 3435769
tert-butyl 3-(1,1-diphenylethyl)pyrrolidine-1-carboxylate
CID 174192656
tert-butyl 5-[2-(4-amino-2-methoxyphenoxy)ethyl]azocane-1-carboxylate
CID 139421073
tert-butyl 4-[(3-methoxy-4-phenylmethoxyphenyl)methylcarbamoyl]piperidine-1-carboxylate
CID 66587122
tert-butyl 3-[[4-(2-fluoroethoxy)phenoxy]methyl]pyrrolidine-1-carboxylate
CID 155373878
tert-butyl 4-(2-phenoxyethyl)piperidine-1-carboxylate
CID 58808100
tert-butyl 4-(1,1-difluoro-2-oxo-2-phenylethyl)piperidine-1-carboxylate
CID 155929643

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[4-(2-fluoroethoxy)-3-methoxyphenyl]-hydroxy-phenylmethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[4-(2-fluoroethoxy)-3-methoxyphenyl]-hydroxy-phenylmethyl]piperidine-1-carboxylate (CID 154634646) is tert-butyl 4-[[4-(2-fluoroethoxy)-3-methoxyphenyl]-hydroxy-phenylmethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[4-(2-fluoroethoxy)-3-methoxyphenyl]-hydroxy-phenylmethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[4-(2-fluoroethoxy)-3-methoxyphenyl]-hydroxy-phenylmethyl]piperidine-1-carboxylate is COc1cc(C(O)(c2ccccc2)C2CCN(C(=O)OC(C)(C)C)CC2)ccc1OCCF.
What is the InChIKey of tert-butyl 4-[[4-(2-fluoroethoxy)-3-methoxyphenyl]-hydroxy-phenylmethyl]piperidine-1-carboxylate?
The InChIKey is AEFQAKPEMKLLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34FNO5/c1-25(2,3)33-24(29)28-15-12-20(13-16-28)26(30,19-8-6-5-7-9-19)21-10-11-22(32-17-14-27)23(18-21)31-4/h5-11,18,20,30H,12-17H2,1-4H3.
What are the key properties of tert-butyl 4-[[4-(2-fluoroethoxy)-3-methoxyphenyl]-hydroxy-phenylmethyl]piperidine-1-carboxylate?
tert-butyl 4-[[4-(2-fluoroethoxy)-3-methoxyphenyl]-hydroxy-phenylmethyl]piperidine-1-carboxylate has a molecular weight of 459.56 g/mol, XLogP of 4.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[4-(2-fluoroethoxy)-3-methoxyphenyl]-hydroxy-phenylmethyl]piperidine-1-carboxylate is sourced from PubChem (CID 154634646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).