1-[[4-methyl-4-(2-methylpyrimidin-4-yl)piperidin-1-yl]methyl]cyclohexan-1-ol

C18H29N3O — CID 95826919

IUPAC1-[[4-methyl-4-(2-methylpyrimidin-4-yl)piperidin-1-yl]methyl]cyclohexan-1-ol
SMILESCc1nccc(C2(C)CCN(CC3(O)CCCCC3)CC2)n1
InChIInChI=1S/C18H29N3O/c1-15-19-11-6-16(20-15)17(2)9-12-21(13-10-17)14-18(22)7-4-3-5-8-18/h6,11,22H,3-5,7-10,12-14H2,1-2H3
InChIKeyMVLRQLWXDHVPOI-UHFFFAOYSA-N
MW303.45 g/mol
LogP2.83
Rot. Bonds3

About 1-[[4-methyl-4-(2-methylpyrimidin-4-yl)piperidin-1-yl]methyl]cyclohexan-1-ol

1-[[4-methyl-4-(2-methylpyrimidin-4-yl)piperidin-1-yl]methyl]cyclohexan-1-ol (PubChem CID 95826919) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is 1-[[4-methyl-4-(2-methylpyrimidin-4-yl)piperidin-1-yl]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[4-methyl-4-(2-methylpyrimidin-4-yl)piperidin-1-yl]methyl]cyclohexan-1-ol
PubChem CID95826919
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name1-[[4-methyl-4-(2-methylpyrimidin-4-yl)piperidin-1-yl]methyl]cyclohexan-1-ol
SMILESCc1nccc(C2(C)CCN(CC3(O)CCCCC3)CC2)n1
InChIInChI=1S/C18H29N3O/c1-15-19-11-6-16(20-15)17(2)9-12-21(13-10-17)14-18(22)7-4-3-5-8-18/h6,11,22H,3-5,7-10,12-14H2,1-2H3
InChIKeyMVLRQLWXDHVPOI-UHFFFAOYSA-N
XLogP2.83
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-methyl-4-(2-methylpyrimidin-4-yl)piperidin-1-yl]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[4-methyl-4-(2-methylpyrimidin-4-yl)piperidin-1-yl]methyl]cyclohexan-1-ol (CID 95826919) is 1-[[4-methyl-4-(2-methylpyrimidin-4-yl)piperidin-1-yl]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[4-methyl-4-(2-methylpyrimidin-4-yl)piperidin-1-yl]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[4-methyl-4-(2-methylpyrimidin-4-yl)piperidin-1-yl]methyl]cyclohexan-1-ol is Cc1nccc(C2(C)CCN(CC3(O)CCCCC3)CC2)n1.
What is the InChIKey of 1-[[4-methyl-4-(2-methylpyrimidin-4-yl)piperidin-1-yl]methyl]cyclohexan-1-ol?
The InChIKey is MVLRQLWXDHVPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-15-19-11-6-16(20-15)17(2)9-12-21(13-10-17)14-18(22)7-4-3-5-8-18/h6,11,22H,3-5,7-10,12-14H2,1-2H3.
What are the key properties of 1-[[4-methyl-4-(2-methylpyrimidin-4-yl)piperidin-1-yl]methyl]cyclohexan-1-ol?
1-[[4-methyl-4-(2-methylpyrimidin-4-yl)piperidin-1-yl]methyl]cyclohexan-1-ol has a molecular weight of 303.45 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-methyl-4-(2-methylpyrimidin-4-yl)piperidin-1-yl]methyl]cyclohexan-1-ol is sourced from PubChem (CID 95826919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).