2-ethyl-5-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]pyrimidine

C19H24FN3O — CID 136547975

IUPAC2-ethyl-5-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]pyrimidine
SMILESCCc1ncc(CN2CCC(OCc3ccccc3F)CC2)cn1
InChIInChI=1S/C19H24FN3O/c1-2-19-21-11-15(12-22-19)13-23-9-7-17(8-10-23)24-14-16-5-3-4-6-18(16)20/h3-6,11-12,17H,2,7-10,13-14H2,1H3
InChIKeyMYOOAAXPZWHMPN-UHFFFAOYSA-N
MW329.42 g/mol
LogP3.36
Rot. Bonds6

About 2-ethyl-5-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]pyrimidine

2-ethyl-5-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]pyrimidine (PubChem CID 136547975) has the molecular formula C19H24FN3O and a molecular weight of 329.42 g/mol. Its IUPAC name is 2-ethyl-5-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]pyrimidine.

Molecular Properties

Compound Name2-ethyl-5-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]pyrimidine
PubChem CID136547975
Molecular FormulaC19H24FN3O
Molecular Weight329.42 g/mol
Exact Mass329.19
IUPAC Name2-ethyl-5-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]pyrimidine
SMILESCCc1ncc(CN2CCC(OCc3ccccc3F)CC2)cn1
InChIInChI=1S/C19H24FN3O/c1-2-19-21-11-15(12-22-19)13-23-9-7-17(8-10-23)24-14-16-5-3-4-6-18(16)20/h3-6,11-12,17H,2,7-10,13-14H2,1H3
InChIKeyMYOOAAXPZWHMPN-UHFFFAOYSA-N
XLogP3.36
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]pyrimidine?
The IUPAC name of 2-ethyl-5-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]pyrimidine (CID 136547975) is 2-ethyl-5-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]pyrimidine.
What is the SMILES notation for 2-ethyl-5-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]pyrimidine?
The canonical SMILES for 2-ethyl-5-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]pyrimidine is CCc1ncc(CN2CCC(OCc3ccccc3F)CC2)cn1.
What is the InChIKey of 2-ethyl-5-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]pyrimidine?
The InChIKey is MYOOAAXPZWHMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O/c1-2-19-21-11-15(12-22-19)13-23-9-7-17(8-10-23)24-14-16-5-3-4-6-18(16)20/h3-6,11-12,17H,2,7-10,13-14H2,1H3.
What are the key properties of 2-ethyl-5-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]pyrimidine?
2-ethyl-5-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]pyrimidine has a molecular weight of 329.42 g/mol, XLogP of 3.36, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]pyrimidine is sourced from PubChem (CID 136547975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).