1-(4-cyclopentylpyrimidin-2-yl)-4-(hydroxymethyl)piperidin-4-ol

C15H23N3O2 — CID 56752306

IUPAC1-(4-cyclopentylpyrimidin-2-yl)-4-(hydroxymethyl)piperidin-4-ol
SMILESOCC1(O)CCN(c2nccc(C3CCCC3)n2)CC1
InChIInChI=1S/C15H23N3O2/c19-11-15(20)6-9-18(10-7-15)14-16-8-5-13(17-14)12-3-1-2-4-12/h5,8,12,19-20H,1-4,6-7,9-11H2
InChIKeyWSYVPAVJKXIYBK-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.46
Rot. Bonds3

About 1-(4-cyclopentylpyrimidin-2-yl)-4-(hydroxymethyl)piperidin-4-ol

1-(4-cyclopentylpyrimidin-2-yl)-4-(hydroxymethyl)piperidin-4-ol (PubChem CID 56752306) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-(4-cyclopentylpyrimidin-2-yl)-4-(hydroxymethyl)piperidin-4-ol.

Molecular Properties

Compound Name1-(4-cyclopentylpyrimidin-2-yl)-4-(hydroxymethyl)piperidin-4-ol
PubChem CID56752306
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name1-(4-cyclopentylpyrimidin-2-yl)-4-(hydroxymethyl)piperidin-4-ol
SMILESOCC1(O)CCN(c2nccc(C3CCCC3)n2)CC1
InChIInChI=1S/C15H23N3O2/c19-11-15(20)6-9-18(10-7-15)14-16-8-5-13(17-14)12-3-1-2-4-12/h5,8,12,19-20H,1-4,6-7,9-11H2
InChIKeyWSYVPAVJKXIYBK-UHFFFAOYSA-N
XLogP1.46
TPSA69.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopentylpyrimidin-2-yl)-4-(hydroxymethyl)piperidin-4-ol?
The IUPAC name of 1-(4-cyclopentylpyrimidin-2-yl)-4-(hydroxymethyl)piperidin-4-ol (CID 56752306) is 1-(4-cyclopentylpyrimidin-2-yl)-4-(hydroxymethyl)piperidin-4-ol.
What is the SMILES notation for 1-(4-cyclopentylpyrimidin-2-yl)-4-(hydroxymethyl)piperidin-4-ol?
The canonical SMILES for 1-(4-cyclopentylpyrimidin-2-yl)-4-(hydroxymethyl)piperidin-4-ol is OCC1(O)CCN(c2nccc(C3CCCC3)n2)CC1.
What is the InChIKey of 1-(4-cyclopentylpyrimidin-2-yl)-4-(hydroxymethyl)piperidin-4-ol?
The InChIKey is WSYVPAVJKXIYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c19-11-15(20)6-9-18(10-7-15)14-16-8-5-13(17-14)12-3-1-2-4-12/h5,8,12,19-20H,1-4,6-7,9-11H2.
What are the key properties of 1-(4-cyclopentylpyrimidin-2-yl)-4-(hydroxymethyl)piperidin-4-ol?
1-(4-cyclopentylpyrimidin-2-yl)-4-(hydroxymethyl)piperidin-4-ol has a molecular weight of 277.37 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopentylpyrimidin-2-yl)-4-(hydroxymethyl)piperidin-4-ol is sourced from PubChem (CID 56752306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).