1-(5-propan-2-ylpyrimidin-2-yl)-4-propylpiperidin-4-ol

C15H25N3O — CID 170582015

IUPAC1-(5-propan-2-ylpyrimidin-2-yl)-4-propylpiperidin-4-ol
SMILESCCCC1(O)CCN(c2ncc(C(C)C)cn2)CC1
InChIInChI=1S/C15H25N3O/c1-4-5-15(19)6-8-18(9-7-15)14-16-10-13(11-17-14)12(2)3/h10-12,19H,4-9H2,1-3H3
InChIKeyBHNPHLYBRVXURU-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.73
Rot. Bonds4

About 1-(5-propan-2-ylpyrimidin-2-yl)-4-propylpiperidin-4-ol

1-(5-propan-2-ylpyrimidin-2-yl)-4-propylpiperidin-4-ol (PubChem CID 170582015) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-(5-propan-2-ylpyrimidin-2-yl)-4-propylpiperidin-4-ol.

Molecular Properties

Compound Name1-(5-propan-2-ylpyrimidin-2-yl)-4-propylpiperidin-4-ol
PubChem CID170582015
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name1-(5-propan-2-ylpyrimidin-2-yl)-4-propylpiperidin-4-ol
SMILESCCCC1(O)CCN(c2ncc(C(C)C)cn2)CC1
InChIInChI=1S/C15H25N3O/c1-4-5-15(19)6-8-18(9-7-15)14-16-10-13(11-17-14)12(2)3/h10-12,19H,4-9H2,1-3H3
InChIKeyBHNPHLYBRVXURU-UHFFFAOYSA-N
XLogP2.73
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-propan-2-ylpyrimidin-2-yl)-4-propylpiperidin-4-ol?
The IUPAC name of 1-(5-propan-2-ylpyrimidin-2-yl)-4-propylpiperidin-4-ol (CID 170582015) is 1-(5-propan-2-ylpyrimidin-2-yl)-4-propylpiperidin-4-ol.
What is the SMILES notation for 1-(5-propan-2-ylpyrimidin-2-yl)-4-propylpiperidin-4-ol?
The canonical SMILES for 1-(5-propan-2-ylpyrimidin-2-yl)-4-propylpiperidin-4-ol is CCCC1(O)CCN(c2ncc(C(C)C)cn2)CC1.
What is the InChIKey of 1-(5-propan-2-ylpyrimidin-2-yl)-4-propylpiperidin-4-ol?
The InChIKey is BHNPHLYBRVXURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-4-5-15(19)6-8-18(9-7-15)14-16-10-13(11-17-14)12(2)3/h10-12,19H,4-9H2,1-3H3.
What are the key properties of 1-(5-propan-2-ylpyrimidin-2-yl)-4-propylpiperidin-4-ol?
1-(5-propan-2-ylpyrimidin-2-yl)-4-propylpiperidin-4-ol has a molecular weight of 263.38 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-propan-2-ylpyrimidin-2-yl)-4-propylpiperidin-4-ol is sourced from PubChem (CID 170582015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).