2-[4-[2-(dimethylamino)pyrimidin-4-yl]piperidin-1-yl]cyclohexan-1-ol

C17H28N4O — CID 110090207

IUPAC2-[4-[2-(dimethylamino)pyrimidin-4-yl]piperidin-1-yl]cyclohexan-1-ol
SMILESCN(C)c1nccc(C2CCN(C3CCCCC3O)CC2)n1
InChIInChI=1S/C17H28N4O/c1-20(2)17-18-10-7-14(19-17)13-8-11-21(12-9-13)15-5-3-4-6-16(15)22/h7,10,13,15-16,22H,3-6,8-9,11-12H2,1-2H3
InChIKeyRGRGIZSWCXRVAB-UHFFFAOYSA-N
MW304.44 g/mol
LogP2.03
Rot. Bonds3

About 2-[4-[2-(dimethylamino)pyrimidin-4-yl]piperidin-1-yl]cyclohexan-1-ol

2-[4-[2-(dimethylamino)pyrimidin-4-yl]piperidin-1-yl]cyclohexan-1-ol (PubChem CID 110090207) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is 2-[4-[2-(dimethylamino)pyrimidin-4-yl]piperidin-1-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[4-[2-(dimethylamino)pyrimidin-4-yl]piperidin-1-yl]cyclohexan-1-ol
PubChem CID110090207
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name2-[4-[2-(dimethylamino)pyrimidin-4-yl]piperidin-1-yl]cyclohexan-1-ol
SMILESCN(C)c1nccc(C2CCN(C3CCCCC3O)CC2)n1
InChIInChI=1S/C17H28N4O/c1-20(2)17-18-10-7-14(19-17)13-8-11-21(12-9-13)15-5-3-4-6-16(15)22/h7,10,13,15-16,22H,3-6,8-9,11-12H2,1-2H3
InChIKeyRGRGIZSWCXRVAB-UHFFFAOYSA-N
XLogP2.03
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(dimethylamino)pyrimidin-4-yl]piperidin-1-yl]cyclohexan-1-ol?
The IUPAC name of 2-[4-[2-(dimethylamino)pyrimidin-4-yl]piperidin-1-yl]cyclohexan-1-ol (CID 110090207) is 2-[4-[2-(dimethylamino)pyrimidin-4-yl]piperidin-1-yl]cyclohexan-1-ol.
What is the SMILES notation for 2-[4-[2-(dimethylamino)pyrimidin-4-yl]piperidin-1-yl]cyclohexan-1-ol?
The canonical SMILES for 2-[4-[2-(dimethylamino)pyrimidin-4-yl]piperidin-1-yl]cyclohexan-1-ol is CN(C)c1nccc(C2CCN(C3CCCCC3O)CC2)n1.
What is the InChIKey of 2-[4-[2-(dimethylamino)pyrimidin-4-yl]piperidin-1-yl]cyclohexan-1-ol?
The InChIKey is RGRGIZSWCXRVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-20(2)17-18-10-7-14(19-17)13-8-11-21(12-9-13)15-5-3-4-6-16(15)22/h7,10,13,15-16,22H,3-6,8-9,11-12H2,1-2H3.
What are the key properties of 2-[4-[2-(dimethylamino)pyrimidin-4-yl]piperidin-1-yl]cyclohexan-1-ol?
2-[4-[2-(dimethylamino)pyrimidin-4-yl]piperidin-1-yl]cyclohexan-1-ol has a molecular weight of 304.44 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(dimethylamino)pyrimidin-4-yl]piperidin-1-yl]cyclohexan-1-ol is sourced from PubChem (CID 110090207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).