[4-(1-hydroxy-3-methylbutyl)piperidin-1-yl]-(2-methylpyrimidin-5-yl)methanone

C16H25N3O2 — CID 70753791

IUPAC[4-(1-hydroxy-3-methylbutyl)piperidin-1-yl]-(2-methylpyrimidin-5-yl)methanone
SMILESCc1ncc(C(=O)N2CCC(C(O)CC(C)C)CC2)cn1
InChIInChI=1S/C16H25N3O2/c1-11(2)8-15(20)13-4-6-19(7-5-13)16(21)14-9-17-12(3)18-10-14/h9-11,13,15,20H,4-8H2,1-3H3
InChIKeyCUPBXBFTQHYUSU-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.04
Rot. Bonds4

About [4-(1-hydroxy-3-methylbutyl)piperidin-1-yl]-(2-methylpyrimidin-5-yl)methanone

[4-(1-hydroxy-3-methylbutyl)piperidin-1-yl]-(2-methylpyrimidin-5-yl)methanone (PubChem CID 70753791) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is [4-(1-hydroxy-3-methylbutyl)piperidin-1-yl]-(2-methylpyrimidin-5-yl)methanone.

Molecular Properties

Compound Name[4-(1-hydroxy-3-methylbutyl)piperidin-1-yl]-(2-methylpyrimidin-5-yl)methanone
PubChem CID70753791
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name[4-(1-hydroxy-3-methylbutyl)piperidin-1-yl]-(2-methylpyrimidin-5-yl)methanone
SMILESCc1ncc(C(=O)N2CCC(C(O)CC(C)C)CC2)cn1
InChIInChI=1S/C16H25N3O2/c1-11(2)8-15(20)13-4-6-19(7-5-13)16(21)14-9-17-12(3)18-10-14/h9-11,13,15,20H,4-8H2,1-3H3
InChIKeyCUPBXBFTQHYUSU-UHFFFAOYSA-N
XLogP2.04
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(1-hydroxy-3-methylbutyl)piperidin-1-yl]-(2-methylpyrimidin-5-yl)methanone?
The IUPAC name of [4-(1-hydroxy-3-methylbutyl)piperidin-1-yl]-(2-methylpyrimidin-5-yl)methanone (CID 70753791) is [4-(1-hydroxy-3-methylbutyl)piperidin-1-yl]-(2-methylpyrimidin-5-yl)methanone.
What is the SMILES notation for [4-(1-hydroxy-3-methylbutyl)piperidin-1-yl]-(2-methylpyrimidin-5-yl)methanone?
The canonical SMILES for [4-(1-hydroxy-3-methylbutyl)piperidin-1-yl]-(2-methylpyrimidin-5-yl)methanone is Cc1ncc(C(=O)N2CCC(C(O)CC(C)C)CC2)cn1.
What is the InChIKey of [4-(1-hydroxy-3-methylbutyl)piperidin-1-yl]-(2-methylpyrimidin-5-yl)methanone?
The InChIKey is CUPBXBFTQHYUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-11(2)8-15(20)13-4-6-19(7-5-13)16(21)14-9-17-12(3)18-10-14/h9-11,13,15,20H,4-8H2,1-3H3.
What are the key properties of [4-(1-hydroxy-3-methylbutyl)piperidin-1-yl]-(2-methylpyrimidin-5-yl)methanone?
[4-(1-hydroxy-3-methylbutyl)piperidin-1-yl]-(2-methylpyrimidin-5-yl)methanone has a molecular weight of 291.39 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-hydroxy-3-methylbutyl)piperidin-1-yl]-(2-methylpyrimidin-5-yl)methanone is sourced from PubChem (CID 70753791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).