4-[(3-fluoro-3-propan-2-ylpiperidin-1-yl)methyl]-2-methoxypyrimidine

C14H22FN3O — CID 163258395

IUPAC4-[(3-fluoro-3-propan-2-ylpiperidin-1-yl)methyl]-2-methoxypyrimidine
SMILESCOc1nccc(CN2CCCC(F)(C(C)C)C2)n1
InChIInChI=1S/C14H22FN3O/c1-11(2)14(15)6-4-8-18(10-14)9-12-5-7-16-13(17-12)19-3/h5,7,11H,4,6,8-10H2,1-3H3
InChIKeyFDBURAVCNNTSGH-UHFFFAOYSA-N
MW267.35 g/mol
LogP2.45
Rot. Bonds4

About 4-[(3-fluoro-3-propan-2-ylpiperidin-1-yl)methyl]-2-methoxypyrimidine

4-[(3-fluoro-3-propan-2-ylpiperidin-1-yl)methyl]-2-methoxypyrimidine (PubChem CID 163258395) has the molecular formula C14H22FN3O and a molecular weight of 267.35 g/mol. Its IUPAC name is 4-[(3-fluoro-3-propan-2-ylpiperidin-1-yl)methyl]-2-methoxypyrimidine.

Molecular Properties

Compound Name4-[(3-fluoro-3-propan-2-ylpiperidin-1-yl)methyl]-2-methoxypyrimidine
PubChem CID163258395
Molecular FormulaC14H22FN3O
Molecular Weight267.35 g/mol
Exact Mass267.17
IUPAC Name4-[(3-fluoro-3-propan-2-ylpiperidin-1-yl)methyl]-2-methoxypyrimidine
SMILESCOc1nccc(CN2CCCC(F)(C(C)C)C2)n1
InChIInChI=1S/C14H22FN3O/c1-11(2)14(15)6-4-8-18(10-14)9-12-5-7-16-13(17-12)19-3/h5,7,11H,4,6,8-10H2,1-3H3
InChIKeyFDBURAVCNNTSGH-UHFFFAOYSA-N
XLogP2.45
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluoro-3-propan-2-ylpiperidin-1-yl)methyl]-2-methoxypyrimidine?
The IUPAC name of 4-[(3-fluoro-3-propan-2-ylpiperidin-1-yl)methyl]-2-methoxypyrimidine (CID 163258395) is 4-[(3-fluoro-3-propan-2-ylpiperidin-1-yl)methyl]-2-methoxypyrimidine.
What is the SMILES notation for 4-[(3-fluoro-3-propan-2-ylpiperidin-1-yl)methyl]-2-methoxypyrimidine?
The canonical SMILES for 4-[(3-fluoro-3-propan-2-ylpiperidin-1-yl)methyl]-2-methoxypyrimidine is COc1nccc(CN2CCCC(F)(C(C)C)C2)n1.
What is the InChIKey of 4-[(3-fluoro-3-propan-2-ylpiperidin-1-yl)methyl]-2-methoxypyrimidine?
The InChIKey is FDBURAVCNNTSGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O/c1-11(2)14(15)6-4-8-18(10-14)9-12-5-7-16-13(17-12)19-3/h5,7,11H,4,6,8-10H2,1-3H3.
What are the key properties of 4-[(3-fluoro-3-propan-2-ylpiperidin-1-yl)methyl]-2-methoxypyrimidine?
4-[(3-fluoro-3-propan-2-ylpiperidin-1-yl)methyl]-2-methoxypyrimidine has a molecular weight of 267.35 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluoro-3-propan-2-ylpiperidin-1-yl)methyl]-2-methoxypyrimidine is sourced from PubChem (CID 163258395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).