4-(2-chloro-9-methyl-8-piperidin-4-yloxypurin-6-yl)morpholine

C15H21ClN6O2 — CID 122502463

IUPAC4-(2-chloro-9-methyl-8-piperidin-4-yloxypurin-6-yl)morpholine
SMILESCn1c(OC2CCNCC2)nc2c(N3CCOCC3)nc(Cl)nc21
InChIInChI=1S/C15H21ClN6O2/c1-21-12-11(18-15(21)24-10-2-4-17-5-3-10)13(20-14(16)19-12)22-6-8-23-9-7-22/h10,17H,2-9H2,1H3
InChIKeyUSPCJHMXJDUVPX-UHFFFAOYSA-N
MW352.83 g/mol
LogP0.98
Rot. Bonds3

About 4-(2-chloro-9-methyl-8-piperidin-4-yloxypurin-6-yl)morpholine

4-(2-chloro-9-methyl-8-piperidin-4-yloxypurin-6-yl)morpholine (PubChem CID 122502463) has the molecular formula C15H21ClN6O2 and a molecular weight of 352.83 g/mol. Its IUPAC name is 4-(2-chloro-9-methyl-8-piperidin-4-yloxypurin-6-yl)morpholine.

Molecular Properties

Compound Name4-(2-chloro-9-methyl-8-piperidin-4-yloxypurin-6-yl)morpholine
PubChem CID122502463
Molecular FormulaC15H21ClN6O2
Molecular Weight352.83 g/mol
Exact Mass352.14
IUPAC Name4-(2-chloro-9-methyl-8-piperidin-4-yloxypurin-6-yl)morpholine
SMILESCn1c(OC2CCNCC2)nc2c(N3CCOCC3)nc(Cl)nc21
InChIInChI=1S/C15H21ClN6O2/c1-21-12-11(18-15(21)24-10-2-4-17-5-3-10)13(20-14(16)19-12)22-6-8-23-9-7-22/h10,17H,2-9H2,1H3
InChIKeyUSPCJHMXJDUVPX-UHFFFAOYSA-N
XLogP0.98
TPSA77.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.83
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-[2-chloro-9-methyl-8-[1-(oxan-4-yl)piperidin-4-yl]oxypurin-6-yl]morpholine
CID 58054337
4-(2-chloro-8,9-dimethylpurin-6-yl)morpholine
CID 59806507
tert-butyl formate;4-(2-chloro-9-piperidin-4-ylpurin-6-yl)morpholine
CID 174595291
4-[2-chloro-9-methyl-8-[(4-morpholin-4-ylpiperidin-1-yl)methyl]purin-6-yl]morpholine
CID 59603495
4-[8-(azetidin-3-yloxy)-9-methyl-2-(2-propan-2-ylbenzimidazol-1-yl)purin-6-yl]morpholine
CID 56645872
2-[1-[2-(2-chloro-9-methyl-6-morpholin-4-ylpurin-8-yl)ethyl]azetidin-3-yl]propan-2-ol
CID 59605651
4-(2-chloro-9-ethyl-6-morpholin-4-ylpurin-8-yl)morpholine
CID 168921312
4-[2-chloro-9-(oxan-2-yl)-8-[(3-piperazin-1-ylazetidin-1-yl)methyl]purin-6-yl]morpholine
CID 150914174
4-(2-chloro-7-methyl-6-piperazin-1-ylthieno[3,2-d]pyrimidin-4-yl)morpholine
CID 87616465
4-(2-chloro-9-methyl-6-morpholin-4-ylpurin-8-yl)-2,3-dihydropyrrole-1-carboxylic acid
CID 174232225
[4-[(2-chloro-9-methyl-6-morpholin-4-ylpurin-8-yl)methyl]piperazin-1-yl]methanesulfinic acid
CID 174631488
(2-chloro-9-methyl-6-morpholin-4-ylpurin-8-yl)methyl N-(2-morpholin-4-ylethyl)carbamate
CID 162624283

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-9-methyl-8-piperidin-4-yloxypurin-6-yl)morpholine?
The IUPAC name of 4-(2-chloro-9-methyl-8-piperidin-4-yloxypurin-6-yl)morpholine (CID 122502463) is 4-(2-chloro-9-methyl-8-piperidin-4-yloxypurin-6-yl)morpholine.
What is the SMILES notation for 4-(2-chloro-9-methyl-8-piperidin-4-yloxypurin-6-yl)morpholine?
The canonical SMILES for 4-(2-chloro-9-methyl-8-piperidin-4-yloxypurin-6-yl)morpholine is Cn1c(OC2CCNCC2)nc2c(N3CCOCC3)nc(Cl)nc21.
What is the InChIKey of 4-(2-chloro-9-methyl-8-piperidin-4-yloxypurin-6-yl)morpholine?
The InChIKey is USPCJHMXJDUVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN6O2/c1-21-12-11(18-15(21)24-10-2-4-17-5-3-10)13(20-14(16)19-12)22-6-8-23-9-7-22/h10,17H,2-9H2,1H3.
What are the key properties of 4-(2-chloro-9-methyl-8-piperidin-4-yloxypurin-6-yl)morpholine?
4-(2-chloro-9-methyl-8-piperidin-4-yloxypurin-6-yl)morpholine has a molecular weight of 352.83 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-9-methyl-8-piperidin-4-yloxypurin-6-yl)morpholine is sourced from PubChem (CID 122502463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).