4-[[4-(pyrimidin-2-ylmethyl)piperidin-1-yl]methyl]oxan-4-ol

C16H25N3O2 — CID 118739974

IUPAC4-[[4-(pyrimidin-2-ylmethyl)piperidin-1-yl]methyl]oxan-4-ol
SMILESOC1(CN2CCC(Cc3ncccn3)CC2)CCOCC1
InChIInChI=1S/C16H25N3O2/c20-16(4-10-21-11-5-16)13-19-8-2-14(3-9-19)12-15-17-6-1-7-18-15/h1,6-7,14,20H,2-5,8-13H2
InChIKeyTWNIEIHVEGJUGT-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.27
Rot. Bonds4

About 4-[[4-(pyrimidin-2-ylmethyl)piperidin-1-yl]methyl]oxan-4-ol

4-[[4-(pyrimidin-2-ylmethyl)piperidin-1-yl]methyl]oxan-4-ol (PubChem CID 118739974) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 4-[[4-(pyrimidin-2-ylmethyl)piperidin-1-yl]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[4-(pyrimidin-2-ylmethyl)piperidin-1-yl]methyl]oxan-4-ol
PubChem CID118739974
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name4-[[4-(pyrimidin-2-ylmethyl)piperidin-1-yl]methyl]oxan-4-ol
SMILESOC1(CN2CCC(Cc3ncccn3)CC2)CCOCC1
InChIInChI=1S/C16H25N3O2/c20-16(4-10-21-11-5-16)13-19-8-2-14(3-9-19)12-15-17-6-1-7-18-15/h1,6-7,14,20H,2-5,8-13H2
InChIKeyTWNIEIHVEGJUGT-UHFFFAOYSA-N
XLogP1.27
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[[4-(pyrimidin-2-ylmethyl)piperidin-1-yl]methyl]oxan-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(pyrimidin-2-ylmethyl)piperidin-1-yl]methyl]oxan-4-ol?
The IUPAC name of 4-[[4-(pyrimidin-2-ylmethyl)piperidin-1-yl]methyl]oxan-4-ol (CID 118739974) is 4-[[4-(pyrimidin-2-ylmethyl)piperidin-1-yl]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[4-(pyrimidin-2-ylmethyl)piperidin-1-yl]methyl]oxan-4-ol?
The canonical SMILES for 4-[[4-(pyrimidin-2-ylmethyl)piperidin-1-yl]methyl]oxan-4-ol is OC1(CN2CCC(Cc3ncccn3)CC2)CCOCC1.
What is the InChIKey of 4-[[4-(pyrimidin-2-ylmethyl)piperidin-1-yl]methyl]oxan-4-ol?
The InChIKey is TWNIEIHVEGJUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c20-16(4-10-21-11-5-16)13-19-8-2-14(3-9-19)12-15-17-6-1-7-18-15/h1,6-7,14,20H,2-5,8-13H2.
What are the key properties of 4-[[4-(pyrimidin-2-ylmethyl)piperidin-1-yl]methyl]oxan-4-ol?
4-[[4-(pyrimidin-2-ylmethyl)piperidin-1-yl]methyl]oxan-4-ol has a molecular weight of 291.39 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(pyrimidin-2-ylmethyl)piperidin-1-yl]methyl]oxan-4-ol is sourced from PubChem (CID 118739974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).