1-[3-[(4-cyclopentylpyrimidin-2-yl)amino]propyl]piperidin-4-ol

C17H28N4O — CID 56863924

IUPAC1-[3-[(4-cyclopentylpyrimidin-2-yl)amino]propyl]piperidin-4-ol
SMILESOC1CCN(CCCNc2nccc(C3CCCC3)n2)CC1
InChIInChI=1S/C17H28N4O/c22-15-7-12-21(13-8-15)11-3-9-18-17-19-10-6-16(20-17)14-4-1-2-5-14/h6,10,14-15,22H,1-5,7-9,11-13H2,(H,18,19,20)
InChIKeyDRNYTKXGMSZADR-UHFFFAOYSA-N
MW304.44 g/mol
LogP2.39
Rot. Bonds6

About 1-[3-[(4-cyclopentylpyrimidin-2-yl)amino]propyl]piperidin-4-ol

1-[3-[(4-cyclopentylpyrimidin-2-yl)amino]propyl]piperidin-4-ol (PubChem CID 56863924) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is 1-[3-[(4-cyclopentylpyrimidin-2-yl)amino]propyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[3-[(4-cyclopentylpyrimidin-2-yl)amino]propyl]piperidin-4-ol
PubChem CID56863924
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name1-[3-[(4-cyclopentylpyrimidin-2-yl)amino]propyl]piperidin-4-ol
SMILESOC1CCN(CCCNc2nccc(C3CCCC3)n2)CC1
InChIInChI=1S/C17H28N4O/c22-15-7-12-21(13-8-15)11-3-9-18-17-19-10-6-16(20-17)14-4-1-2-5-14/h6,10,14-15,22H,1-5,7-9,11-13H2,(H,18,19,20)
InChIKeyDRNYTKXGMSZADR-UHFFFAOYSA-N
XLogP2.39
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4-cyclopentylpyrimidin-2-yl)amino]propyl]piperidin-4-ol?
The IUPAC name of 1-[3-[(4-cyclopentylpyrimidin-2-yl)amino]propyl]piperidin-4-ol (CID 56863924) is 1-[3-[(4-cyclopentylpyrimidin-2-yl)amino]propyl]piperidin-4-ol.
What is the SMILES notation for 1-[3-[(4-cyclopentylpyrimidin-2-yl)amino]propyl]piperidin-4-ol?
The canonical SMILES for 1-[3-[(4-cyclopentylpyrimidin-2-yl)amino]propyl]piperidin-4-ol is OC1CCN(CCCNc2nccc(C3CCCC3)n2)CC1.
What is the InChIKey of 1-[3-[(4-cyclopentylpyrimidin-2-yl)amino]propyl]piperidin-4-ol?
The InChIKey is DRNYTKXGMSZADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c22-15-7-12-21(13-8-15)11-3-9-18-17-19-10-6-16(20-17)14-4-1-2-5-14/h6,10,14-15,22H,1-5,7-9,11-13H2,(H,18,19,20).
What are the key properties of 1-[3-[(4-cyclopentylpyrimidin-2-yl)amino]propyl]piperidin-4-ol?
1-[3-[(4-cyclopentylpyrimidin-2-yl)amino]propyl]piperidin-4-ol has a molecular weight of 304.44 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4-cyclopentylpyrimidin-2-yl)amino]propyl]piperidin-4-ol is sourced from PubChem (CID 56863924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).