9-[3-(4-benzhydrylpiperazin-1-yl)propyl]purin-6-amine

C25H29N7 — CID 10251936

IUPAC9-[3-(4-benzhydrylpiperazin-1-yl)propyl]purin-6-amine
SMILESNc1ncnc2c1ncn2CCCN1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C25H29N7/c26-24-22-25(28-18-27-24)32(19-29-22)13-7-12-30-14-16-31(17-15-30)23(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-6,8-11,18-19,23H,7,12-17H2,(H2,26,27,28)
InChIKeyZCUXKWSSFIAIGA-UHFFFAOYSA-N
MW427.56 g/mol
LogP3.21
Rot. Bonds7

About 9-[3-(4-benzhydrylpiperazin-1-yl)propyl]purin-6-amine

9-[3-(4-benzhydrylpiperazin-1-yl)propyl]purin-6-amine (PubChem CID 10251936) has the molecular formula C25H29N7 and a molecular weight of 427.56 g/mol. Its IUPAC name is 9-[3-(4-benzhydrylpiperazin-1-yl)propyl]purin-6-amine.

Molecular Properties

Compound Name9-[3-(4-benzhydrylpiperazin-1-yl)propyl]purin-6-amine
PubChem CID10251936
Molecular FormulaC25H29N7
Molecular Weight427.56 g/mol
Exact Mass427.25
IUPAC Name9-[3-(4-benzhydrylpiperazin-1-yl)propyl]purin-6-amine
SMILESNc1ncnc2c1ncn2CCCN1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C25H29N7/c26-24-22-25(28-18-27-24)32(19-29-22)13-7-12-30-14-16-31(17-15-30)23(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-6,8-11,18-19,23H,7,12-17H2,(H2,26,27,28)
InChIKeyZCUXKWSSFIAIGA-UHFFFAOYSA-N
XLogP3.21
TPSA76.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.56
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

9-[3-(4-methylpiperazin-1-yl)propyl]purin-6-amine
CID 62898747
1-(4-benzhydrylpiperazin-1-yl)-3-(6-chloropurin-9-yl)propan-2-ol
CID 10434515
9-[3-(3-propan-2-ylpyrrolidin-1-yl)propyl]purin-6-amine
CID 115688477
(2S)-1-(4-benzhydrylpiperazin-1-yl)-3-[6-(1,2,4-triazol-1-yl)purin-9-yl]propan-2-ol
CID 10368535
1-benzhydryl-4-(3-chloropropyl)piperazine
CID 10936372
6-chloro-9-[3-(4-phenylpiperazin-1-yl)propyl]purine
CID 21493411
9-[3-(2-methylphenyl)sulfanylpropyl]purin-6-amine
CID 62873662
9-(6-anilinohexyl)purin-6-amine
CID 67346454
9-[3-[4-[1-[4-[3-(6-aminopurin-9-yl)propoxy]phenyl]-2,2-diphenylethenyl]phenoxy]propyl]purin-6-amine
CID 102026182
1-benzhydryl-4-butylpiperazine
CID 13416419
1-[3-(6-aminopurin-9-yl)propyl]pyrrole-2-carbonitrile
CID 114650911
9-nonylpurin-6-amine
CID 3816519

Frequently Asked Questions

What is the IUPAC name of 9-[3-(4-benzhydrylpiperazin-1-yl)propyl]purin-6-amine?
The IUPAC name of 9-[3-(4-benzhydrylpiperazin-1-yl)propyl]purin-6-amine (CID 10251936) is 9-[3-(4-benzhydrylpiperazin-1-yl)propyl]purin-6-amine.
What is the SMILES notation for 9-[3-(4-benzhydrylpiperazin-1-yl)propyl]purin-6-amine?
The canonical SMILES for 9-[3-(4-benzhydrylpiperazin-1-yl)propyl]purin-6-amine is Nc1ncnc2c1ncn2CCCN1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 9-[3-(4-benzhydrylpiperazin-1-yl)propyl]purin-6-amine?
The InChIKey is ZCUXKWSSFIAIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7/c26-24-22-25(28-18-27-24)32(19-29-22)13-7-12-30-14-16-31(17-15-30)23(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-6,8-11,18-19,23H,7,12-17H2,(H2,26,27,28).
What are the key properties of 9-[3-(4-benzhydrylpiperazin-1-yl)propyl]purin-6-amine?
9-[3-(4-benzhydrylpiperazin-1-yl)propyl]purin-6-amine has a molecular weight of 427.56 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(4-benzhydrylpiperazin-1-yl)propyl]purin-6-amine is sourced from PubChem (CID 10251936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).