1-[[4-[6-(dimethylamino)pyrazin-2-yl]piperidin-1-yl]methyl]cyclohexan-1-ol

C18H30N4O — CID 95827661

IUPAC1-[[4-[6-(dimethylamino)pyrazin-2-yl]piperidin-1-yl]methyl]cyclohexan-1-ol
SMILESCN(C)c1cncc(C2CCN(CC3(O)CCCCC3)CC2)n1
InChIInChI=1S/C18H30N4O/c1-21(2)17-13-19-12-16(20-17)15-6-10-22(11-7-15)14-18(23)8-4-3-5-9-18/h12-13,15,23H,3-11,14H2,1-2H3
InChIKeyHHZQBQUQSPMVLQ-UHFFFAOYSA-N
MW318.46 g/mol
LogP2.42
Rot. Bonds4

About 1-[[4-[6-(dimethylamino)pyrazin-2-yl]piperidin-1-yl]methyl]cyclohexan-1-ol

1-[[4-[6-(dimethylamino)pyrazin-2-yl]piperidin-1-yl]methyl]cyclohexan-1-ol (PubChem CID 95827661) has the molecular formula C18H30N4O and a molecular weight of 318.46 g/mol. Its IUPAC name is 1-[[4-[6-(dimethylamino)pyrazin-2-yl]piperidin-1-yl]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[4-[6-(dimethylamino)pyrazin-2-yl]piperidin-1-yl]methyl]cyclohexan-1-ol
PubChem CID95827661
Molecular FormulaC18H30N4O
Molecular Weight318.46 g/mol
Exact Mass318.24
IUPAC Name1-[[4-[6-(dimethylamino)pyrazin-2-yl]piperidin-1-yl]methyl]cyclohexan-1-ol
SMILESCN(C)c1cncc(C2CCN(CC3(O)CCCCC3)CC2)n1
InChIInChI=1S/C18H30N4O/c1-21(2)17-13-19-12-16(20-17)15-6-10-22(11-7-15)14-18(23)8-4-3-5-9-18/h12-13,15,23H,3-11,14H2,1-2H3
InChIKeyHHZQBQUQSPMVLQ-UHFFFAOYSA-N
XLogP2.42
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-[6-(dimethylamino)pyrazin-2-yl]piperidin-1-yl]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[4-[6-(dimethylamino)pyrazin-2-yl]piperidin-1-yl]methyl]cyclohexan-1-ol (CID 95827661) is 1-[[4-[6-(dimethylamino)pyrazin-2-yl]piperidin-1-yl]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[4-[6-(dimethylamino)pyrazin-2-yl]piperidin-1-yl]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[4-[6-(dimethylamino)pyrazin-2-yl]piperidin-1-yl]methyl]cyclohexan-1-ol is CN(C)c1cncc(C2CCN(CC3(O)CCCCC3)CC2)n1.
What is the InChIKey of 1-[[4-[6-(dimethylamino)pyrazin-2-yl]piperidin-1-yl]methyl]cyclohexan-1-ol?
The InChIKey is HHZQBQUQSPMVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O/c1-21(2)17-13-19-12-16(20-17)15-6-10-22(11-7-15)14-18(23)8-4-3-5-9-18/h12-13,15,23H,3-11,14H2,1-2H3.
What are the key properties of 1-[[4-[6-(dimethylamino)pyrazin-2-yl]piperidin-1-yl]methyl]cyclohexan-1-ol?
1-[[4-[6-(dimethylamino)pyrazin-2-yl]piperidin-1-yl]methyl]cyclohexan-1-ol has a molecular weight of 318.46 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[6-(dimethylamino)pyrazin-2-yl]piperidin-1-yl]methyl]cyclohexan-1-ol is sourced from PubChem (CID 95827661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).