9-(4-chlorophenyl)-6-piperidin-1-ylpurine

C16H16ClN5 — CID 23730289

IUPAC9-(4-chlorophenyl)-6-piperidin-1-ylpurine
SMILESClc1ccc(-n2cnc3c(N4CCCCC4)ncnc32)cc1
InChIInChI=1S/C16H16ClN5/c17-12-4-6-13(7-5-12)22-11-20-14-15(18-10-19-16(14)22)21-8-2-1-3-9-21/h4-7,10-11H,1-3,8-9H2
InChIKeyLQHOCVXBULBZNV-UHFFFAOYSA-N
MW313.79 g/mol
LogP3.46
Rot. Bonds2

About 9-(4-chlorophenyl)-6-piperidin-1-ylpurine

9-(4-chlorophenyl)-6-piperidin-1-ylpurine (PubChem CID 23730289) has the molecular formula C16H16ClN5 and a molecular weight of 313.79 g/mol. Its IUPAC name is 9-(4-chlorophenyl)-6-piperidin-1-ylpurine.

Molecular Properties

Compound Name9-(4-chlorophenyl)-6-piperidin-1-ylpurine
PubChem CID23730289
Molecular FormulaC16H16ClN5
Molecular Weight313.79 g/mol
Exact Mass313.11
IUPAC Name9-(4-chlorophenyl)-6-piperidin-1-ylpurine
SMILESClc1ccc(-n2cnc3c(N4CCCCC4)ncnc32)cc1
InChIInChI=1S/C16H16ClN5/c17-12-4-6-13(7-5-12)22-11-20-14-15(18-10-19-16(14)22)21-8-2-1-3-9-21/h4-7,10-11H,1-3,8-9H2
InChIKeyLQHOCVXBULBZNV-UHFFFAOYSA-N
XLogP3.46
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-9-phenyl-6-piperidin-1-ylpurine
CID 53496023
6-(azetidin-1-yl)-9-methylpurine
CID 147079717
9-(cyclopropylmethyl)-6-piperidin-1-ylpurine
CID 10634902
6-(4-chlorophenyl)-4-piperidin-1-ylquinazoline
CID 69016475
6-(4,6-dimethyl-1,4-diazepan-1-yl)-9-phenylpurine
CID 166243479
4,5-dichloro-1-(4-pyrrolidin-1-ylphenyl)imidazole
CID 168515848
4-[9-(4-methylphenyl)-6-pyrrolidin-1-ylpurin-2-yl]phenol
CID 135932610
4-(azepan-1-yl)-1-phenylpyrazolo[5,4-d]pyrimidine
CID 915603
(2R,3R,4R,5S)-2-(hydroxymethyl)-5-(6-piperidin-1-ylpurin-9-yl)oxolane-3,4-diol
CID 928080
4-(azocan-1-yl)-6-chloropyrimidin-5-amine
CID 62663067
6-chloro-9-(3-chlorophenyl)purine
CID 14322386
2-(4-chlorophenyl)-5-pyrrolidin-1-yltetrazole
CID 56924902

Frequently Asked Questions

What is the IUPAC name of 9-(4-chlorophenyl)-6-piperidin-1-ylpurine?
The IUPAC name of 9-(4-chlorophenyl)-6-piperidin-1-ylpurine (CID 23730289) is 9-(4-chlorophenyl)-6-piperidin-1-ylpurine.
What is the SMILES notation for 9-(4-chlorophenyl)-6-piperidin-1-ylpurine?
The canonical SMILES for 9-(4-chlorophenyl)-6-piperidin-1-ylpurine is Clc1ccc(-n2cnc3c(N4CCCCC4)ncnc32)cc1.
What is the InChIKey of 9-(4-chlorophenyl)-6-piperidin-1-ylpurine?
The InChIKey is LQHOCVXBULBZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5/c17-12-4-6-13(7-5-12)22-11-20-14-15(18-10-19-16(14)22)21-8-2-1-3-9-21/h4-7,10-11H,1-3,8-9H2.
What are the key properties of 9-(4-chlorophenyl)-6-piperidin-1-ylpurine?
9-(4-chlorophenyl)-6-piperidin-1-ylpurine has a molecular weight of 313.79 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-chlorophenyl)-6-piperidin-1-ylpurine is sourced from PubChem (CID 23730289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).