(2S)-1-cyclohexyloxy-3-[[1-(7H-purin-6-yl)piperidin-4-yl]amino]propan-2-ol

C19H30N6O2 — CID 97453600

IUPAC(2S)-1-cyclohexyloxy-3-[[1-(7H-purin-6-yl)piperidin-4-yl]amino]propan-2-ol
SMILESO[C@@H](CNC1CCN(c2ncnc3nc[nH]c23)CC1)COC1CCCCC1
InChIInChI=1S/C19H30N6O2/c26-15(11-27-16-4-2-1-3-5-16)10-20-14-6-8-25(9-7-14)19-17-18(22-12-21-17)23-13-24-19/h12-16,20,26H,1-11H2,(H,21,22,23,24)/t15-/m0/s1
InChIKeyYBGQRGLLTZIDAL-HNNXBMFYSA-N
MW374.49 g/mol
LogP1.62
Rot. Bonds7

About (2S)-1-cyclohexyloxy-3-[[1-(7H-purin-6-yl)piperidin-4-yl]amino]propan-2-ol

(2S)-1-cyclohexyloxy-3-[[1-(7H-purin-6-yl)piperidin-4-yl]amino]propan-2-ol (PubChem CID 97453600) has the molecular formula C19H30N6O2 and a molecular weight of 374.49 g/mol. Its IUPAC name is (2S)-1-cyclohexyloxy-3-[[1-(7H-purin-6-yl)piperidin-4-yl]amino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-cyclohexyloxy-3-[[1-(7H-purin-6-yl)piperidin-4-yl]amino]propan-2-ol
PubChem CID97453600
Molecular FormulaC19H30N6O2
Molecular Weight374.49 g/mol
Exact Mass374.24
IUPAC Name(2S)-1-cyclohexyloxy-3-[[1-(7H-purin-6-yl)piperidin-4-yl]amino]propan-2-ol
SMILESO[C@@H](CNC1CCN(c2ncnc3nc[nH]c23)CC1)COC1CCCCC1
InChIInChI=1S/C19H30N6O2/c26-15(11-27-16-4-2-1-3-5-16)10-20-14-6-8-25(9-7-14)19-17-18(22-12-21-17)23-13-24-19/h12-16,20,26H,1-11H2,(H,21,22,23,24)/t15-/m0/s1
InChIKeyYBGQRGLLTZIDAL-HNNXBMFYSA-N
XLogP1.62
TPSA99.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-cyclohexyloxy-3-[[1-(7H-purin-6-yl)piperidin-4-yl]amino]propan-2-ol?
The IUPAC name of (2S)-1-cyclohexyloxy-3-[[1-(7H-purin-6-yl)piperidin-4-yl]amino]propan-2-ol (CID 97453600) is (2S)-1-cyclohexyloxy-3-[[1-(7H-purin-6-yl)piperidin-4-yl]amino]propan-2-ol.
What is the SMILES notation for (2S)-1-cyclohexyloxy-3-[[1-(7H-purin-6-yl)piperidin-4-yl]amino]propan-2-ol?
The canonical SMILES for (2S)-1-cyclohexyloxy-3-[[1-(7H-purin-6-yl)piperidin-4-yl]amino]propan-2-ol is O[C@@H](CNC1CCN(c2ncnc3nc[nH]c23)CC1)COC1CCCCC1.
What is the InChIKey of (2S)-1-cyclohexyloxy-3-[[1-(7H-purin-6-yl)piperidin-4-yl]amino]propan-2-ol?
The InChIKey is YBGQRGLLTZIDAL-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H30N6O2/c26-15(11-27-16-4-2-1-3-5-16)10-20-14-6-8-25(9-7-14)19-17-18(22-12-21-17)23-13-24-19/h12-16,20,26H,1-11H2,(H,21,22,23,24)/t15-/m0/s1.
What are the key properties of (2S)-1-cyclohexyloxy-3-[[1-(7H-purin-6-yl)piperidin-4-yl]amino]propan-2-ol?
(2S)-1-cyclohexyloxy-3-[[1-(7H-purin-6-yl)piperidin-4-yl]amino]propan-2-ol has a molecular weight of 374.49 g/mol, XLogP of 1.62, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-cyclohexyloxy-3-[[1-(7H-purin-6-yl)piperidin-4-yl]amino]propan-2-ol is sourced from PubChem (CID 97453600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).