[4-(5-chloropyrimidin-2-yl)morpholin-2-yl]-(4,4-difluoropiperidin-1-yl)methanone

C14H17ClF2N4O2 — CID 163345700

IUPAC[4-(5-chloropyrimidin-2-yl)morpholin-2-yl]-(4,4-difluoropiperidin-1-yl)methanone
SMILESO=C(C1CN(c2ncc(Cl)cn2)CCO1)N1CCC(F)(F)CC1
InChIInChI=1S/C14H17ClF2N4O2/c15-10-7-18-13(19-8-10)21-5-6-23-11(9-21)12(22)20-3-1-14(16,17)2-4-20/h7-8,11H,1-6,9H2
InChIKeyCVRBZLQPUUUZEX-UHFFFAOYSA-N
MW346.77 g/mol
LogP1.59
Rot. Bonds2

About [4-(5-chloropyrimidin-2-yl)morpholin-2-yl]-(4,4-difluoropiperidin-1-yl)methanone

[4-(5-chloropyrimidin-2-yl)morpholin-2-yl]-(4,4-difluoropiperidin-1-yl)methanone (PubChem CID 163345700) has the molecular formula C14H17ClF2N4O2 and a molecular weight of 346.77 g/mol. Its IUPAC name is [4-(5-chloropyrimidin-2-yl)morpholin-2-yl]-(4,4-difluoropiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-(5-chloropyrimidin-2-yl)morpholin-2-yl]-(4,4-difluoropiperidin-1-yl)methanone
PubChem CID163345700
Molecular FormulaC14H17ClF2N4O2
Molecular Weight346.77 g/mol
Exact Mass346.10
IUPAC Name[4-(5-chloropyrimidin-2-yl)morpholin-2-yl]-(4,4-difluoropiperidin-1-yl)methanone
SMILESO=C(C1CN(c2ncc(Cl)cn2)CCO1)N1CCC(F)(F)CC1
InChIInChI=1S/C14H17ClF2N4O2/c15-10-7-18-13(19-8-10)21-5-6-23-11(9-21)12(22)20-3-1-14(16,17)2-4-20/h7-8,11H,1-6,9H2
InChIKeyCVRBZLQPUUUZEX-UHFFFAOYSA-N
XLogP1.59
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.77
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(5-chloropyrimidin-2-yl)morpholin-2-yl]-(4,4-difluoropiperidin-1-yl)methanone?
The IUPAC name of [4-(5-chloropyrimidin-2-yl)morpholin-2-yl]-(4,4-difluoropiperidin-1-yl)methanone (CID 163345700) is [4-(5-chloropyrimidin-2-yl)morpholin-2-yl]-(4,4-difluoropiperidin-1-yl)methanone.
What is the SMILES notation for [4-(5-chloropyrimidin-2-yl)morpholin-2-yl]-(4,4-difluoropiperidin-1-yl)methanone?
The canonical SMILES for [4-(5-chloropyrimidin-2-yl)morpholin-2-yl]-(4,4-difluoropiperidin-1-yl)methanone is O=C(C1CN(c2ncc(Cl)cn2)CCO1)N1CCC(F)(F)CC1.
What is the InChIKey of [4-(5-chloropyrimidin-2-yl)morpholin-2-yl]-(4,4-difluoropiperidin-1-yl)methanone?
The InChIKey is CVRBZLQPUUUZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClF2N4O2/c15-10-7-18-13(19-8-10)21-5-6-23-11(9-21)12(22)20-3-1-14(16,17)2-4-20/h7-8,11H,1-6,9H2.
What are the key properties of [4-(5-chloropyrimidin-2-yl)morpholin-2-yl]-(4,4-difluoropiperidin-1-yl)methanone?
[4-(5-chloropyrimidin-2-yl)morpholin-2-yl]-(4,4-difluoropiperidin-1-yl)methanone has a molecular weight of 346.77 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-chloropyrimidin-2-yl)morpholin-2-yl]-(4,4-difluoropiperidin-1-yl)methanone is sourced from PubChem (CID 163345700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).