6-(4-chloropiperidin-1-yl)-7H-purine

C10H12ClN5 — CID 63388487

IUPAC6-(4-chloropiperidin-1-yl)-7H-purine
SMILESClC1CCN(c2ncnc3nc[nH]c23)CC1
InChIInChI=1S/C10H12ClN5/c11-7-1-3-16(4-2-7)10-8-9(13-5-12-8)14-6-15-10/h5-7H,1-4H2,(H,12,13,14,15)
InChIKeyRDLBAPXBYOPSMM-UHFFFAOYSA-N
MW237.69 g/mol
LogP1.56
Rot. Bonds1

About 6-(4-chloropiperidin-1-yl)-7H-purine

6-(4-chloropiperidin-1-yl)-7H-purine (PubChem CID 63388487) has the molecular formula C10H12ClN5 and a molecular weight of 237.69 g/mol. Its IUPAC name is 6-(4-chloropiperidin-1-yl)-7H-purine.

Molecular Properties

Compound Name6-(4-chloropiperidin-1-yl)-7H-purine
PubChem CID63388487
Molecular FormulaC10H12ClN5
Molecular Weight237.69 g/mol
Exact Mass237.08
IUPAC Name6-(4-chloropiperidin-1-yl)-7H-purine
SMILESClC1CCN(c2ncnc3nc[nH]c23)CC1
InChIInChI=1S/C10H12ClN5/c11-7-1-3-16(4-2-7)10-8-9(13-5-12-8)14-6-15-10/h5-7H,1-4H2,(H,12,13,14,15)
InChIKeyRDLBAPXBYOPSMM-UHFFFAOYSA-N
XLogP1.56
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(7H-purin-6-yl)piperidine-4-carbonitrile
CID 48933380
6-(4-pyrazolidin-3-ylpiperidin-1-yl)-7H-purine
CID 133300022
1-[1-(7H-purin-6-yl)piperidin-4-yl]ethane-1,2-diol
CID 138385634
cyclopropyl-[4-(7H-purin-6-yl)-1,4-diazepan-1-yl]methanone
CID 133499116
6-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]-7H-purine
CID 67232922
6-(4-pyrimidin-2-ylpiperazin-1-yl)-7H-purine
CID 23605644
N-(5-chloro-2-pyridinyl)-1-(7H-purin-6-yl)piperidine-4-carboxamide
CID 47066466
[1-(7H-purin-6-yl)pyrrolidin-3-yl]methanamine
CID 62061504
6-[4-(2-methoxyethyl)piperidin-1-yl]-7H-purine
CID 166246145
1-[1-(7H-purin-6-yl)pyrrolidin-3-yl]ethanamine
CID 103976832
4-(7H-purin-6-yl)piperazine-1-carbaldehyde
CID 118720796
6-(1,4-diazepan-1-yl)-7H-purine
CID 3702788

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloropiperidin-1-yl)-7H-purine?
The IUPAC name of 6-(4-chloropiperidin-1-yl)-7H-purine (CID 63388487) is 6-(4-chloropiperidin-1-yl)-7H-purine.
What is the SMILES notation for 6-(4-chloropiperidin-1-yl)-7H-purine?
The canonical SMILES for 6-(4-chloropiperidin-1-yl)-7H-purine is ClC1CCN(c2ncnc3nc[nH]c23)CC1.
What is the InChIKey of 6-(4-chloropiperidin-1-yl)-7H-purine?
The InChIKey is RDLBAPXBYOPSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN5/c11-7-1-3-16(4-2-7)10-8-9(13-5-12-8)14-6-15-10/h5-7H,1-4H2,(H,12,13,14,15).
What are the key properties of 6-(4-chloropiperidin-1-yl)-7H-purine?
6-(4-chloropiperidin-1-yl)-7H-purine has a molecular weight of 237.69 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloropiperidin-1-yl)-7H-purine is sourced from PubChem (CID 63388487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).