1-(4-benzhydrylpiperazin-1-yl)-3-(6-chloropurin-9-yl)propan-2-ol

C25H27ClN6O — CID 10434515

IUPAC1-(4-benzhydrylpiperazin-1-yl)-3-(6-chloropurin-9-yl)propan-2-ol
SMILESOC(CN1CCN(C(c2ccccc2)c2ccccc2)CC1)Cn1cnc2c(Cl)ncnc21
InChIInChI=1S/C25H27ClN6O/c26-24-22-25(28-17-27-24)32(18-29-22)16-21(33)15-30-11-13-31(14-12-30)23(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-10,17-18,21,23,33H,11-16H2
InChIKeyDLDRPGOUVROVGQ-UHFFFAOYSA-N
MW462.99 g/mol
LogP3.25
Rot. Bonds7

About 1-(4-benzhydrylpiperazin-1-yl)-3-(6-chloropurin-9-yl)propan-2-ol

1-(4-benzhydrylpiperazin-1-yl)-3-(6-chloropurin-9-yl)propan-2-ol (PubChem CID 10434515) has the molecular formula C25H27ClN6O and a molecular weight of 462.99 g/mol. Its IUPAC name is 1-(4-benzhydrylpiperazin-1-yl)-3-(6-chloropurin-9-yl)propan-2-ol.

Molecular Properties

Compound Name1-(4-benzhydrylpiperazin-1-yl)-3-(6-chloropurin-9-yl)propan-2-ol
PubChem CID10434515
Molecular FormulaC25H27ClN6O
Molecular Weight462.99 g/mol
Exact Mass462.19
IUPAC Name1-(4-benzhydrylpiperazin-1-yl)-3-(6-chloropurin-9-yl)propan-2-ol
SMILESOC(CN1CCN(C(c2ccccc2)c2ccccc2)CC1)Cn1cnc2c(Cl)ncnc21
InChIInChI=1S/C25H27ClN6O/c26-24-22-25(28-17-27-24)32(18-29-22)16-21(33)15-30-11-13-31(14-12-30)23(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-10,17-18,21,23,33H,11-16H2
InChIKeyDLDRPGOUVROVGQ-UHFFFAOYSA-N
XLogP3.25
TPSA70.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.99
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-1-(4-benzhydrylpiperazin-1-yl)-3-[6-(1,2,4-triazol-1-yl)purin-9-yl]propan-2-ol
CID 10368535
1-(4-benzhydrylpiperazin-1-yl)-3-(8-chloro-6-imino-7H-purin-3-yl)propan-2-ol
CID 135671349
1-(4-benzhydrylpiperazin-1-yl)-3-(6-imino-7H-purin-3-yl)propan-2-ol
CID 135671347
9-[3-(4-benzhydrylpiperazin-1-yl)propyl]purin-6-amine
CID 10251936
1-(4-benzhydrylpiperazin-1-yl)butan-2-ol
CID 20795195
(2R)-1-(4-benzhydrylpiperazin-1-yl)-3-[bis(4-chlorophenyl)methoxy]propan-2-ol
CID 98291992
6-chloro-9-[3-(4-phenylpiperazin-1-yl)propyl]purine
CID 21493411
(2S)-1-(4-benzhydrylpiperazin-1-yl)-3-(4-propan-2-ylphenoxy)propan-2-ol
CID 34065755
1-(4-benzhydrylpiperazin-1-yl)-3-(2,4-dichlorophenoxy)propan-2-ol
CID 2917495
1-(4-benzhydrylpiperazin-1-yl)-3-[(6-chloro-2-pyridinyl)methoxy]propan-2-ol
CID 139685665
(2S)-3-(4-benzhydrylpiperazin-1-yl)-1,1,1-trifluoropropan-2-ol
CID 6975605
1-(4-benzhydrylpiperazin-1-yl)-3-(benzylamino)propan-2-ol
CID 3072697

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzhydrylpiperazin-1-yl)-3-(6-chloropurin-9-yl)propan-2-ol?
The IUPAC name of 1-(4-benzhydrylpiperazin-1-yl)-3-(6-chloropurin-9-yl)propan-2-ol (CID 10434515) is 1-(4-benzhydrylpiperazin-1-yl)-3-(6-chloropurin-9-yl)propan-2-ol.
What is the SMILES notation for 1-(4-benzhydrylpiperazin-1-yl)-3-(6-chloropurin-9-yl)propan-2-ol?
The canonical SMILES for 1-(4-benzhydrylpiperazin-1-yl)-3-(6-chloropurin-9-yl)propan-2-ol is OC(CN1CCN(C(c2ccccc2)c2ccccc2)CC1)Cn1cnc2c(Cl)ncnc21.
What is the InChIKey of 1-(4-benzhydrylpiperazin-1-yl)-3-(6-chloropurin-9-yl)propan-2-ol?
The InChIKey is DLDRPGOUVROVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN6O/c26-24-22-25(28-17-27-24)32(18-29-22)16-21(33)15-30-11-13-31(14-12-30)23(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-10,17-18,21,23,33H,11-16H2.
What are the key properties of 1-(4-benzhydrylpiperazin-1-yl)-3-(6-chloropurin-9-yl)propan-2-ol?
1-(4-benzhydrylpiperazin-1-yl)-3-(6-chloropurin-9-yl)propan-2-ol has a molecular weight of 462.99 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzhydrylpiperazin-1-yl)-3-(6-chloropurin-9-yl)propan-2-ol is sourced from PubChem (CID 10434515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).