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

C19H28FNO3 — CID 67982981

IUPACtert-butyl 3-[(2-fluorophenyl)methyl]-3-(methoxymethyl)piperidine-1-carboxylate
SMILESCOCC1(Cc2ccccc2F)CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C19H28FNO3/c1-18(2,3)24-17(22)21-11-7-10-19(13-21,14-23-4)12-15-8-5-6-9-16(15)20/h5-6,8-9H,7,10-14H2,1-4H3
InChIKeyWTVRNDCAJHZNDB-UHFFFAOYSA-N
MW337.44 g/mol
LogP4.03
Rot. Bonds4

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

tert-butyl 3-[(2-fluorophenyl)methyl]-3-(methoxymethyl)piperidine-1-carboxylate (PubChem CID 67982981) has the molecular formula C19H28FNO3 and a molecular weight of 337.44 g/mol. Its IUPAC name is tert-butyl 3-[(2-fluorophenyl)methyl]-3-(methoxymethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[(2-fluorophenyl)methyl]-3-(methoxymethyl)piperidine-1-carboxylate
PubChem CID67982981
Molecular FormulaC19H28FNO3
Molecular Weight337.44 g/mol
Exact Mass337.21
IUPAC Nametert-butyl 3-[(2-fluorophenyl)methyl]-3-(methoxymethyl)piperidine-1-carboxylate
SMILESCOCC1(Cc2ccccc2F)CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C19H28FNO3/c1-18(2,3)24-17(22)21-11-7-10-19(13-21,14-23-4)12-15-8-5-6-9-16(15)20/h5-6,8-9H,7,10-14H2,1-4H3
InChIKeyWTVRNDCAJHZNDB-UHFFFAOYSA-N
XLogP4.03
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(2-fluorophenyl)methyl]-3-(methoxymethyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[(2-fluorophenyl)methyl]-3-(methoxymethyl)piperidine-1-carboxylate (CID 67982981) is tert-butyl 3-[(2-fluorophenyl)methyl]-3-(methoxymethyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[(2-fluorophenyl)methyl]-3-(methoxymethyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[(2-fluorophenyl)methyl]-3-(methoxymethyl)piperidine-1-carboxylate is COCC1(Cc2ccccc2F)CCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-[(2-fluorophenyl)methyl]-3-(methoxymethyl)piperidine-1-carboxylate?
The InChIKey is WTVRNDCAJHZNDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28FNO3/c1-18(2,3)24-17(22)21-11-7-10-19(13-21,14-23-4)12-15-8-5-6-9-16(15)20/h5-6,8-9H,7,10-14H2,1-4H3.
What are the key properties of tert-butyl 3-[(2-fluorophenyl)methyl]-3-(methoxymethyl)piperidine-1-carboxylate?
tert-butyl 3-[(2-fluorophenyl)methyl]-3-(methoxymethyl)piperidine-1-carboxylate has a molecular weight of 337.44 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(2-fluorophenyl)methyl]-3-(methoxymethyl)piperidine-1-carboxylate is sourced from PubChem (CID 67982981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).