4-chloro-2-cyclopropyl-6-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]pyrimidine

C19H21ClFN3O — CID 133422205

IUPAC4-chloro-2-cyclopropyl-6-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]pyrimidine
SMILESFc1ccc(COC2CCN(c3cc(Cl)nc(C4CC4)n3)CC2)cc1
InChIInChI=1S/C19H21ClFN3O/c20-17-11-18(23-19(22-17)14-3-4-14)24-9-7-16(8-10-24)25-12-13-1-5-15(21)6-2-13/h1-2,5-6,11,14,16H,3-4,7-10,12H2
InChIKeyHVJSENATUSACBD-UHFFFAOYSA-N
MW361.85 g/mol
LogP4.33
Rot. Bonds5

About 4-chloro-2-cyclopropyl-6-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]pyrimidine

4-chloro-2-cyclopropyl-6-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]pyrimidine (PubChem CID 133422205) has the molecular formula C19H21ClFN3O and a molecular weight of 361.85 g/mol. Its IUPAC name is 4-chloro-2-cyclopropyl-6-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-cyclopropyl-6-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]pyrimidine
PubChem CID133422205
Molecular FormulaC19H21ClFN3O
Molecular Weight361.85 g/mol
Exact Mass361.14
IUPAC Name4-chloro-2-cyclopropyl-6-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]pyrimidine
SMILESFc1ccc(COC2CCN(c3cc(Cl)nc(C4CC4)n3)CC2)cc1
InChIInChI=1S/C19H21ClFN3O/c20-17-11-18(23-19(22-17)14-3-4-14)24-9-7-16(8-10-24)25-12-13-1-5-15(21)6-2-13/h1-2,5-6,11,14,16H,3-4,7-10,12H2
InChIKeyHVJSENATUSACBD-UHFFFAOYSA-N
XLogP4.33
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.85
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-cyclopropyl-6-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]pyrimidine?
The IUPAC name of 4-chloro-2-cyclopropyl-6-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]pyrimidine (CID 133422205) is 4-chloro-2-cyclopropyl-6-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]pyrimidine.
What is the SMILES notation for 4-chloro-2-cyclopropyl-6-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]pyrimidine?
The canonical SMILES for 4-chloro-2-cyclopropyl-6-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]pyrimidine is Fc1ccc(COC2CCN(c3cc(Cl)nc(C4CC4)n3)CC2)cc1.
What is the InChIKey of 4-chloro-2-cyclopropyl-6-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]pyrimidine?
The InChIKey is HVJSENATUSACBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFN3O/c20-17-11-18(23-19(22-17)14-3-4-14)24-9-7-16(8-10-24)25-12-13-1-5-15(21)6-2-13/h1-2,5-6,11,14,16H,3-4,7-10,12H2.
What are the key properties of 4-chloro-2-cyclopropyl-6-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]pyrimidine?
4-chloro-2-cyclopropyl-6-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]pyrimidine has a molecular weight of 361.85 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-cyclopropyl-6-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]pyrimidine is sourced from PubChem (CID 133422205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).