tert-butyl 4-[(4-ethylpiperidin-1-yl)-hydroxymethyl]-4-fluoropiperidine-1-carboxylate

C18H33FN2O3 — CID 155470134

IUPACtert-butyl 4-[(4-ethylpiperidin-1-yl)-hydroxymethyl]-4-fluoropiperidine-1-carboxylate
SMILESCCC1CCN(C(O)C2(F)CCN(C(=O)OC(C)(C)C)CC2)CC1
InChIInChI=1S/C18H33FN2O3/c1-5-14-6-10-20(11-7-14)15(22)18(19)8-12-21(13-9-18)16(23)24-17(2,3)4/h14-15,22H,5-13H2,1-4H3
InChIKeyWRUORRYZNMIWQG-UHFFFAOYSA-N
MW344.47 g/mol
LogP3.17
Rot. Bonds3

About tert-butyl 4-[(4-ethylpiperidin-1-yl)-hydroxymethyl]-4-fluoropiperidine-1-carboxylate

tert-butyl 4-[(4-ethylpiperidin-1-yl)-hydroxymethyl]-4-fluoropiperidine-1-carboxylate (PubChem CID 155470134) has the molecular formula C18H33FN2O3 and a molecular weight of 344.47 g/mol. Its IUPAC name is tert-butyl 4-[(4-ethylpiperidin-1-yl)-hydroxymethyl]-4-fluoropiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(4-ethylpiperidin-1-yl)-hydroxymethyl]-4-fluoropiperidine-1-carboxylate
PubChem CID155470134
Molecular FormulaC18H33FN2O3
Molecular Weight344.47 g/mol
Exact Mass344.25
IUPAC Nametert-butyl 4-[(4-ethylpiperidin-1-yl)-hydroxymethyl]-4-fluoropiperidine-1-carboxylate
SMILESCCC1CCN(C(O)C2(F)CCN(C(=O)OC(C)(C)C)CC2)CC1
InChIInChI=1S/C18H33FN2O3/c1-5-14-6-10-20(11-7-14)15(22)18(19)8-12-21(13-9-18)16(23)24-17(2,3)4/h14-15,22H,5-13H2,1-4H3
InChIKeyWRUORRYZNMIWQG-UHFFFAOYSA-N
XLogP3.17
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.47
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(4-ethylpiperidin-1-yl)-hydroxymethyl]-4-fluoropiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(4-ethylpiperidin-1-yl)-hydroxymethyl]-4-fluoropiperidine-1-carboxylate (CID 155470134) is tert-butyl 4-[(4-ethylpiperidin-1-yl)-hydroxymethyl]-4-fluoropiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(4-ethylpiperidin-1-yl)-hydroxymethyl]-4-fluoropiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(4-ethylpiperidin-1-yl)-hydroxymethyl]-4-fluoropiperidine-1-carboxylate is CCC1CCN(C(O)C2(F)CCN(C(=O)OC(C)(C)C)CC2)CC1.
What is the InChIKey of tert-butyl 4-[(4-ethylpiperidin-1-yl)-hydroxymethyl]-4-fluoropiperidine-1-carboxylate?
The InChIKey is WRUORRYZNMIWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33FN2O3/c1-5-14-6-10-20(11-7-14)15(22)18(19)8-12-21(13-9-18)16(23)24-17(2,3)4/h14-15,22H,5-13H2,1-4H3.
What are the key properties of tert-butyl 4-[(4-ethylpiperidin-1-yl)-hydroxymethyl]-4-fluoropiperidine-1-carboxylate?
tert-butyl 4-[(4-ethylpiperidin-1-yl)-hydroxymethyl]-4-fluoropiperidine-1-carboxylate has a molecular weight of 344.47 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(4-ethylpiperidin-1-yl)-hydroxymethyl]-4-fluoropiperidine-1-carboxylate is sourced from PubChem (CID 155470134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).