tert-butyl 3-[(R)-(3-fluorophenyl)-(2-hydroxyethoxy)methyl]piperidine-1-carboxylate

C19H28FNO4 — CID 67364387

IUPACtert-butyl 3-[(R)-(3-fluorophenyl)-(2-hydroxyethoxy)methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC([C@@H](OCCO)c2cccc(F)c2)C1
InChIInChI=1S/C19H28FNO4/c1-19(2,3)25-18(23)21-9-5-7-15(13-21)17(24-11-10-22)14-6-4-8-16(20)12-14/h4,6,8,12,15,17,22H,5,7,9-11,13H2,1-3H3/t15?,17-/m0/s1
InChIKeyHBJJUBXKARVWPA-LWKPJOBUSA-N
MW353.43 g/mol
LogP3.52
Rot. Bonds5

About tert-butyl 3-[(R)-(3-fluorophenyl)-(2-hydroxyethoxy)methyl]piperidine-1-carboxylate

tert-butyl 3-[(R)-(3-fluorophenyl)-(2-hydroxyethoxy)methyl]piperidine-1-carboxylate (PubChem CID 67364387) has the molecular formula C19H28FNO4 and a molecular weight of 353.43 g/mol. Its IUPAC name is tert-butyl 3-[(R)-(3-fluorophenyl)-(2-hydroxyethoxy)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[(R)-(3-fluorophenyl)-(2-hydroxyethoxy)methyl]piperidine-1-carboxylate
PubChem CID67364387
Molecular FormulaC19H28FNO4
Molecular Weight353.43 g/mol
Exact Mass353.20
IUPAC Nametert-butyl 3-[(R)-(3-fluorophenyl)-(2-hydroxyethoxy)methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC([C@@H](OCCO)c2cccc(F)c2)C1
InChIInChI=1S/C19H28FNO4/c1-19(2,3)25-18(23)21-9-5-7-15(13-21)17(24-11-10-22)14-6-4-8-16(20)12-14/h4,6,8,12,15,17,22H,5,7,9-11,13H2,1-3H3/t15?,17-/m0/s1
InChIKeyHBJJUBXKARVWPA-LWKPJOBUSA-N
XLogP3.52
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(R)-(3-fluorophenyl)-(2-hydroxyethoxy)methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[(R)-(3-fluorophenyl)-(2-hydroxyethoxy)methyl]piperidine-1-carboxylate (CID 67364387) is tert-butyl 3-[(R)-(3-fluorophenyl)-(2-hydroxyethoxy)methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[(R)-(3-fluorophenyl)-(2-hydroxyethoxy)methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[(R)-(3-fluorophenyl)-(2-hydroxyethoxy)methyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC([C@@H](OCCO)c2cccc(F)c2)C1.
What is the InChIKey of tert-butyl 3-[(R)-(3-fluorophenyl)-(2-hydroxyethoxy)methyl]piperidine-1-carboxylate?
The InChIKey is HBJJUBXKARVWPA-LWKPJOBUSA-N. The full InChI is InChI=1S/C19H28FNO4/c1-19(2,3)25-18(23)21-9-5-7-15(13-21)17(24-11-10-22)14-6-4-8-16(20)12-14/h4,6,8,12,15,17,22H,5,7,9-11,13H2,1-3H3/t15?,17-/m0/s1.
What are the key properties of tert-butyl 3-[(R)-(3-fluorophenyl)-(2-hydroxyethoxy)methyl]piperidine-1-carboxylate?
tert-butyl 3-[(R)-(3-fluorophenyl)-(2-hydroxyethoxy)methyl]piperidine-1-carboxylate has a molecular weight of 353.43 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(R)-(3-fluorophenyl)-(2-hydroxyethoxy)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 67364387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).