3-[(dimethylamino)methyl]-1-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperidin-3-ol

C16H28N4O — CID 70736990

IUPAC3-[(dimethylamino)methyl]-1-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperidin-3-ol
SMILESCC(C)c1nccc(CN2CCCC(O)(CN(C)C)C2)n1
InChIInChI=1S/C16H28N4O/c1-13(2)15-17-8-6-14(18-15)10-20-9-5-7-16(21,12-20)11-19(3)4/h6,8,13,21H,5,7,9-12H2,1-4H3
InChIKeyLUCRZHFPGAYSHQ-UHFFFAOYSA-N
MW292.43 g/mol
LogP1.49
Rot. Bonds5

About 3-[(dimethylamino)methyl]-1-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperidin-3-ol

3-[(dimethylamino)methyl]-1-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperidin-3-ol (PubChem CID 70736990) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 3-[(dimethylamino)methyl]-1-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperidin-3-ol.

Molecular Properties

Compound Name3-[(dimethylamino)methyl]-1-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperidin-3-ol
PubChem CID70736990
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name3-[(dimethylamino)methyl]-1-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperidin-3-ol
SMILESCC(C)c1nccc(CN2CCCC(O)(CN(C)C)C2)n1
InChIInChI=1S/C16H28N4O/c1-13(2)15-17-8-6-14(18-15)10-20-9-5-7-16(21,12-20)11-19(3)4/h6,8,13,21H,5,7,9-12H2,1-4H3
InChIKeyLUCRZHFPGAYSHQ-UHFFFAOYSA-N
XLogP1.49
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylamino)methyl]-1-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperidin-3-ol?
The IUPAC name of 3-[(dimethylamino)methyl]-1-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperidin-3-ol (CID 70736990) is 3-[(dimethylamino)methyl]-1-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperidin-3-ol.
What is the SMILES notation for 3-[(dimethylamino)methyl]-1-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperidin-3-ol?
The canonical SMILES for 3-[(dimethylamino)methyl]-1-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperidin-3-ol is CC(C)c1nccc(CN2CCCC(O)(CN(C)C)C2)n1.
What is the InChIKey of 3-[(dimethylamino)methyl]-1-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperidin-3-ol?
The InChIKey is LUCRZHFPGAYSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-13(2)15-17-8-6-14(18-15)10-20-9-5-7-16(21,12-20)11-19(3)4/h6,8,13,21H,5,7,9-12H2,1-4H3.
What are the key properties of 3-[(dimethylamino)methyl]-1-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperidin-3-ol?
3-[(dimethylamino)methyl]-1-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperidin-3-ol has a molecular weight of 292.43 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylamino)methyl]-1-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperidin-3-ol is sourced from PubChem (CID 70736990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).