1-[1-(6-cyclohexyloxypyrazin-2-yl)piperidin-4-yl]ethane-1,2-diol

C17H27N3O3 — CID 167748055

IUPAC1-[1-(6-cyclohexyloxypyrazin-2-yl)piperidin-4-yl]ethane-1,2-diol
SMILESOCC(O)C1CCN(c2cncc(OC3CCCCC3)n2)CC1
InChIInChI=1S/C17H27N3O3/c21-12-15(22)13-6-8-20(9-7-13)16-10-18-11-17(19-16)23-14-4-2-1-3-5-14/h10-11,13-15,21-22H,1-9,12H2
InChIKeyQHACDEXVVNQKLZ-UHFFFAOYSA-N
MW321.42 g/mol
LogP1.76
Rot. Bonds5

About 1-[1-(6-cyclohexyloxypyrazin-2-yl)piperidin-4-yl]ethane-1,2-diol

1-[1-(6-cyclohexyloxypyrazin-2-yl)piperidin-4-yl]ethane-1,2-diol (PubChem CID 167748055) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is 1-[1-(6-cyclohexyloxypyrazin-2-yl)piperidin-4-yl]ethane-1,2-diol.

Molecular Properties

Compound Name1-[1-(6-cyclohexyloxypyrazin-2-yl)piperidin-4-yl]ethane-1,2-diol
PubChem CID167748055
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Name1-[1-(6-cyclohexyloxypyrazin-2-yl)piperidin-4-yl]ethane-1,2-diol
SMILESOCC(O)C1CCN(c2cncc(OC3CCCCC3)n2)CC1
InChIInChI=1S/C17H27N3O3/c21-12-15(22)13-6-8-20(9-7-13)16-10-18-11-17(19-16)23-14-4-2-1-3-5-14/h10-11,13-15,21-22H,1-9,12H2
InChIKeyQHACDEXVVNQKLZ-UHFFFAOYSA-N
XLogP1.76
TPSA78.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-cyclohexyloxy-6-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]pyrazine
CID 133485842
1-(6-cyclohexyloxypyrazin-2-yl)-3-methylpyrrolidin-3-ol
CID 133485381
2-cyclohexyloxy-6-[4-[(6-fluoro-3-pyridinyl)oxy]piperidin-1-yl]pyrazine
CID 154839646
(7R,8aS)-2-(6-cyclohexyloxypyrazin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
CID 139014382
4-(6-cyclohexyloxypyrazin-2-yl)-1-(1-methylpyrazol-4-yl)piperazin-2-one
CID 127909579
4-(6-cyclohexyloxypyrazin-2-yl)-2-thiophen-3-ylmorpholine
CID 133491268
N-(cyclopropylmethyl)-1-(6-propan-2-yloxypyrazin-2-yl)piperidin-4-amine
CID 115307539
6-cyclopentyloxypyrazin-2-amine
CID 66520317
2-(4-cyclohexylpiperazin-1-yl)-6-methoxypyrazine
CID 171701805
(6-cyclobutyloxypyrazin-2-yl)methanamine
CID 66450566
6-cycloheptyloxy-N-methylpyrazin-2-amine
CID 80871369
6-cyclohexyloxy-N-methylpyrazin-2-amine
CID 80858720

Frequently Asked Questions

What is the IUPAC name of 1-[1-(6-cyclohexyloxypyrazin-2-yl)piperidin-4-yl]ethane-1,2-diol?
The IUPAC name of 1-[1-(6-cyclohexyloxypyrazin-2-yl)piperidin-4-yl]ethane-1,2-diol (CID 167748055) is 1-[1-(6-cyclohexyloxypyrazin-2-yl)piperidin-4-yl]ethane-1,2-diol.
What is the SMILES notation for 1-[1-(6-cyclohexyloxypyrazin-2-yl)piperidin-4-yl]ethane-1,2-diol?
The canonical SMILES for 1-[1-(6-cyclohexyloxypyrazin-2-yl)piperidin-4-yl]ethane-1,2-diol is OCC(O)C1CCN(c2cncc(OC3CCCCC3)n2)CC1.
What is the InChIKey of 1-[1-(6-cyclohexyloxypyrazin-2-yl)piperidin-4-yl]ethane-1,2-diol?
The InChIKey is QHACDEXVVNQKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3/c21-12-15(22)13-6-8-20(9-7-13)16-10-18-11-17(19-16)23-14-4-2-1-3-5-14/h10-11,13-15,21-22H,1-9,12H2.
What are the key properties of 1-[1-(6-cyclohexyloxypyrazin-2-yl)piperidin-4-yl]ethane-1,2-diol?
1-[1-(6-cyclohexyloxypyrazin-2-yl)piperidin-4-yl]ethane-1,2-diol has a molecular weight of 321.42 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(6-cyclohexyloxypyrazin-2-yl)piperidin-4-yl]ethane-1,2-diol is sourced from PubChem (CID 167748055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).