methyl 3-amino-2-[[1-(3-fluorophenyl)piperidin-4-yl]oxymethyl]piperidine-1-carboxylate

C19H28FN3O3 — CID 166990227

IUPACmethyl 3-amino-2-[[1-(3-fluorophenyl)piperidin-4-yl]oxymethyl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCCC(N)C1COC1CCN(c2cccc(F)c2)CC1
InChIInChI=1S/C19H28FN3O3/c1-25-19(24)23-9-3-6-17(21)18(23)13-26-16-7-10-22(11-8-16)15-5-2-4-14(20)12-15/h2,4-5,12,16-18H,3,6-11,13,21H2,1H3
InChIKeyNXXHUDOZIPHRIX-UHFFFAOYSA-N
MW365.45 g/mol
LogP2.37
Rot. Bonds4

About methyl 3-amino-2-[[1-(3-fluorophenyl)piperidin-4-yl]oxymethyl]piperidine-1-carboxylate

methyl 3-amino-2-[[1-(3-fluorophenyl)piperidin-4-yl]oxymethyl]piperidine-1-carboxylate (PubChem CID 166990227) has the molecular formula C19H28FN3O3 and a molecular weight of 365.45 g/mol. Its IUPAC name is methyl 3-amino-2-[[1-(3-fluorophenyl)piperidin-4-yl]oxymethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-2-[[1-(3-fluorophenyl)piperidin-4-yl]oxymethyl]piperidine-1-carboxylate
PubChem CID166990227
Molecular FormulaC19H28FN3O3
Molecular Weight365.45 g/mol
Exact Mass365.21
IUPAC Namemethyl 3-amino-2-[[1-(3-fluorophenyl)piperidin-4-yl]oxymethyl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCCC(N)C1COC1CCN(c2cccc(F)c2)CC1
InChIInChI=1S/C19H28FN3O3/c1-25-19(24)23-9-3-6-17(21)18(23)13-26-16-7-10-22(11-8-16)15-5-2-4-14(20)12-15/h2,4-5,12,16-18H,3,6-11,13,21H2,1H3
InChIKeyNXXHUDOZIPHRIX-UHFFFAOYSA-N
XLogP2.37
TPSA68.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-2-[[1-(3-fluorophenyl)piperidin-4-yl]oxymethyl]piperidine-1-carboxylate?
The IUPAC name of methyl 3-amino-2-[[1-(3-fluorophenyl)piperidin-4-yl]oxymethyl]piperidine-1-carboxylate (CID 166990227) is methyl 3-amino-2-[[1-(3-fluorophenyl)piperidin-4-yl]oxymethyl]piperidine-1-carboxylate.
What is the SMILES notation for methyl 3-amino-2-[[1-(3-fluorophenyl)piperidin-4-yl]oxymethyl]piperidine-1-carboxylate?
The canonical SMILES for methyl 3-amino-2-[[1-(3-fluorophenyl)piperidin-4-yl]oxymethyl]piperidine-1-carboxylate is COC(=O)N1CCCC(N)C1COC1CCN(c2cccc(F)c2)CC1.
What is the InChIKey of methyl 3-amino-2-[[1-(3-fluorophenyl)piperidin-4-yl]oxymethyl]piperidine-1-carboxylate?
The InChIKey is NXXHUDOZIPHRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28FN3O3/c1-25-19(24)23-9-3-6-17(21)18(23)13-26-16-7-10-22(11-8-16)15-5-2-4-14(20)12-15/h2,4-5,12,16-18H,3,6-11,13,21H2,1H3.
What are the key properties of methyl 3-amino-2-[[1-(3-fluorophenyl)piperidin-4-yl]oxymethyl]piperidine-1-carboxylate?
methyl 3-amino-2-[[1-(3-fluorophenyl)piperidin-4-yl]oxymethyl]piperidine-1-carboxylate has a molecular weight of 365.45 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-2-[[1-(3-fluorophenyl)piperidin-4-yl]oxymethyl]piperidine-1-carboxylate is sourced from PubChem (CID 166990227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).