4-chloro-2-[(1-methylpiperidin-4-yl)oxymethyl]-6-propan-2-ylpyrimidine

C14H22ClN3O — CID 171723537

IUPAC4-chloro-2-[(1-methylpiperidin-4-yl)oxymethyl]-6-propan-2-ylpyrimidine
SMILESCC(C)c1cc(Cl)nc(COC2CCN(C)CC2)n1
InChIInChI=1S/C14H22ClN3O/c1-10(2)12-8-13(15)17-14(16-12)9-19-11-4-6-18(3)7-5-11/h8,10-11H,4-7,9H2,1-3H3
InChIKeyVINOWTDKPRQVBS-UHFFFAOYSA-N
MW283.80 g/mol
LogP2.86
Rot. Bonds4

About 4-chloro-2-[(1-methylpiperidin-4-yl)oxymethyl]-6-propan-2-ylpyrimidine

4-chloro-2-[(1-methylpiperidin-4-yl)oxymethyl]-6-propan-2-ylpyrimidine (PubChem CID 171723537) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is 4-chloro-2-[(1-methylpiperidin-4-yl)oxymethyl]-6-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-[(1-methylpiperidin-4-yl)oxymethyl]-6-propan-2-ylpyrimidine
PubChem CID171723537
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC Name4-chloro-2-[(1-methylpiperidin-4-yl)oxymethyl]-6-propan-2-ylpyrimidine
SMILESCC(C)c1cc(Cl)nc(COC2CCN(C)CC2)n1
InChIInChI=1S/C14H22ClN3O/c1-10(2)12-8-13(15)17-14(16-12)9-19-11-4-6-18(3)7-5-11/h8,10-11H,4-7,9H2,1-3H3
InChIKeyVINOWTDKPRQVBS-UHFFFAOYSA-N
XLogP2.86
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(1-methylpiperidin-4-yl)oxymethyl]-6-propan-2-ylpyrimidine?
The IUPAC name of 4-chloro-2-[(1-methylpiperidin-4-yl)oxymethyl]-6-propan-2-ylpyrimidine (CID 171723537) is 4-chloro-2-[(1-methylpiperidin-4-yl)oxymethyl]-6-propan-2-ylpyrimidine.
What is the SMILES notation for 4-chloro-2-[(1-methylpiperidin-4-yl)oxymethyl]-6-propan-2-ylpyrimidine?
The canonical SMILES for 4-chloro-2-[(1-methylpiperidin-4-yl)oxymethyl]-6-propan-2-ylpyrimidine is CC(C)c1cc(Cl)nc(COC2CCN(C)CC2)n1.
What is the InChIKey of 4-chloro-2-[(1-methylpiperidin-4-yl)oxymethyl]-6-propan-2-ylpyrimidine?
The InChIKey is VINOWTDKPRQVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O/c1-10(2)12-8-13(15)17-14(16-12)9-19-11-4-6-18(3)7-5-11/h8,10-11H,4-7,9H2,1-3H3.
What are the key properties of 4-chloro-2-[(1-methylpiperidin-4-yl)oxymethyl]-6-propan-2-ylpyrimidine?
4-chloro-2-[(1-methylpiperidin-4-yl)oxymethyl]-6-propan-2-ylpyrimidine has a molecular weight of 283.80 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(1-methylpiperidin-4-yl)oxymethyl]-6-propan-2-ylpyrimidine is sourced from PubChem (CID 171723537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).