[(3R)-3-(3-phenylpropyl)-1-(7H-purin-6-yl)piperidin-3-yl]methanol

C20H25N5O — CID 95222493

IUPAC[(3R)-3-(3-phenylpropyl)-1-(7H-purin-6-yl)piperidin-3-yl]methanol
SMILESOC[C@]1(CCCc2ccccc2)CCCN(c2ncnc3nc[nH]c23)C1
InChIInChI=1S/C20H25N5O/c26-13-20(9-4-8-16-6-2-1-3-7-16)10-5-11-25(12-20)19-17-18(22-14-21-17)23-15-24-19/h1-3,6-7,14-15,26H,4-5,8-13H2,(H,21,22,23,24)/t20-/m1/s1
InChIKeyLWNYYCMWVFYQMX-HXUWFJFHSA-N
MW351.45 g/mol
LogP2.95
Rot. Bonds6

About [(3R)-3-(3-phenylpropyl)-1-(7H-purin-6-yl)piperidin-3-yl]methanol

[(3R)-3-(3-phenylpropyl)-1-(7H-purin-6-yl)piperidin-3-yl]methanol (PubChem CID 95222493) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is [(3R)-3-(3-phenylpropyl)-1-(7H-purin-6-yl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R)-3-(3-phenylpropyl)-1-(7H-purin-6-yl)piperidin-3-yl]methanol
PubChem CID95222493
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name[(3R)-3-(3-phenylpropyl)-1-(7H-purin-6-yl)piperidin-3-yl]methanol
SMILESOC[C@]1(CCCc2ccccc2)CCCN(c2ncnc3nc[nH]c23)C1
InChIInChI=1S/C20H25N5O/c26-13-20(9-4-8-16-6-2-1-3-7-16)10-5-11-25(12-20)19-17-18(22-14-21-17)23-15-24-19/h1-3,6-7,14-15,26H,4-5,8-13H2,(H,21,22,23,24)/t20-/m1/s1
InChIKeyLWNYYCMWVFYQMX-HXUWFJFHSA-N
XLogP2.95
TPSA77.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(3-phenylpropyl)-1-(7H-purin-6-yl)piperidin-3-yl]methanol?
The IUPAC name of [(3R)-3-(3-phenylpropyl)-1-(7H-purin-6-yl)piperidin-3-yl]methanol (CID 95222493) is [(3R)-3-(3-phenylpropyl)-1-(7H-purin-6-yl)piperidin-3-yl]methanol.
What is the SMILES notation for [(3R)-3-(3-phenylpropyl)-1-(7H-purin-6-yl)piperidin-3-yl]methanol?
The canonical SMILES for [(3R)-3-(3-phenylpropyl)-1-(7H-purin-6-yl)piperidin-3-yl]methanol is OC[C@]1(CCCc2ccccc2)CCCN(c2ncnc3nc[nH]c23)C1.
What is the InChIKey of [(3R)-3-(3-phenylpropyl)-1-(7H-purin-6-yl)piperidin-3-yl]methanol?
The InChIKey is LWNYYCMWVFYQMX-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H25N5O/c26-13-20(9-4-8-16-6-2-1-3-7-16)10-5-11-25(12-20)19-17-18(22-14-21-17)23-15-24-19/h1-3,6-7,14-15,26H,4-5,8-13H2,(H,21,22,23,24)/t20-/m1/s1.
What are the key properties of [(3R)-3-(3-phenylpropyl)-1-(7H-purin-6-yl)piperidin-3-yl]methanol?
[(3R)-3-(3-phenylpropyl)-1-(7H-purin-6-yl)piperidin-3-yl]methanol has a molecular weight of 351.45 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(3-phenylpropyl)-1-(7H-purin-6-yl)piperidin-3-yl]methanol is sourced from PubChem (CID 95222493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).