4-[1-(6-chloropyrimidin-4-yl)piperidin-4-yl]morpholine

C13H19ClN4O — CID 22309538

IUPAC4-[1-(6-chloropyrimidin-4-yl)piperidin-4-yl]morpholine
SMILESClc1cc(N2CCC(N3CCOCC3)CC2)ncn1
InChIInChI=1S/C13H19ClN4O/c14-12-9-13(16-10-15-12)18-3-1-11(2-4-18)17-5-7-19-8-6-17/h9-11H,1-8H2
InChIKeyHANLQGOJYZAOJU-UHFFFAOYSA-N
MW282.77 g/mol
LogP1.43
Rot. Bonds2

About 4-[1-(6-chloropyrimidin-4-yl)piperidin-4-yl]morpholine

4-[1-(6-chloropyrimidin-4-yl)piperidin-4-yl]morpholine (PubChem CID 22309538) has the molecular formula C13H19ClN4O and a molecular weight of 282.77 g/mol. Its IUPAC name is 4-[1-(6-chloropyrimidin-4-yl)piperidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[1-(6-chloropyrimidin-4-yl)piperidin-4-yl]morpholine
PubChem CID22309538
Molecular FormulaC13H19ClN4O
Molecular Weight282.77 g/mol
Exact Mass282.12
IUPAC Name4-[1-(6-chloropyrimidin-4-yl)piperidin-4-yl]morpholine
SMILESClc1cc(N2CCC(N3CCOCC3)CC2)ncn1
InChIInChI=1S/C13H19ClN4O/c14-12-9-13(16-10-15-12)18-3-1-11(2-4-18)17-5-7-19-8-6-17/h9-11H,1-8H2
InChIKeyHANLQGOJYZAOJU-UHFFFAOYSA-N
XLogP1.43
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-Chloro-6-(morpholin-4-yl)pyrimidin-2-amine
CID 1484288
4-(4-Chloropyrimidin-2-yl)morpholine
CID 824643
4-(6-Chloropyrimidin-4-yl)morpholine
CID 796070
4-chloro-N,N-dimethyl-6-morpholino-2-pyrimidinamine
CID 3424209
4-(2,6-Dichloropyrimidin-4-yl)morpholine
CID 11586699
4,4'-(6-Chloropyrimidine-2,4-diyl)dimorpholine
CID 686334
4-(6-Piperidin-1-ylpyrimidin-4-yl)morpholine
CID 112856006
4-(6-(Azepan-1-yl)pyrimidin-4-yl)morpholine
CID 112857082
4-[6-(3,3-Dimethylpiperidin-1-yl)pyrimidin-4-yl]morpholine
CID 155555557
N-methyl-6-morpholin-4-yl-N-propan-2-ylpyrimidin-4-amine
CID 155565408
4-Chloro-2,6-di(piperidin-1-yl)pyrimidine
CID 248641
1-(6-Chloropyrimidin-4-yl)-4-(morpholine-4-carbonyl)piperazin-2-one
CID 134787651

Frequently Asked Questions

What is the IUPAC name of 4-[1-(6-chloropyrimidin-4-yl)piperidin-4-yl]morpholine?
The IUPAC name of 4-[1-(6-chloropyrimidin-4-yl)piperidin-4-yl]morpholine (CID 22309538) is 4-[1-(6-chloropyrimidin-4-yl)piperidin-4-yl]morpholine.
What is the SMILES notation for 4-[1-(6-chloropyrimidin-4-yl)piperidin-4-yl]morpholine?
The canonical SMILES for 4-[1-(6-chloropyrimidin-4-yl)piperidin-4-yl]morpholine is Clc1cc(N2CCC(N3CCOCC3)CC2)ncn1.
What is the InChIKey of 4-[1-(6-chloropyrimidin-4-yl)piperidin-4-yl]morpholine?
The InChIKey is HANLQGOJYZAOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4O/c14-12-9-13(16-10-15-12)18-3-1-11(2-4-18)17-5-7-19-8-6-17/h9-11H,1-8H2.
What are the key properties of 4-[1-(6-chloropyrimidin-4-yl)piperidin-4-yl]morpholine?
4-[1-(6-chloropyrimidin-4-yl)piperidin-4-yl]morpholine has a molecular weight of 282.77 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(6-chloropyrimidin-4-yl)piperidin-4-yl]morpholine is sourced from PubChem (CID 22309538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).