1-[2-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]cyclohexan-1-ol

C24H32N4O2 — CID 130366543

IUPAC1-[2-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]cyclohexan-1-ol
SMILESCC(c1ccc2c(c1)OCC2)N1CCN(c2ncc(C3(O)CCCCC3)cn2)CC1
InChIInChI=1S/C24H32N4O2/c1-18(20-6-5-19-7-14-30-22(19)15-20)27-10-12-28(13-11-27)23-25-16-21(17-26-23)24(29)8-3-2-4-9-24/h5-6,15-18,29H,2-4,7-14H2,1H3
InChIKeyGYMCRPAACRFAKY-UHFFFAOYSA-N
MW408.55 g/mol
LogP3.45
Rot. Bonds4

About 1-[2-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]cyclohexan-1-ol

1-[2-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]cyclohexan-1-ol (PubChem CID 130366543) has the molecular formula C24H32N4O2 and a molecular weight of 408.55 g/mol. Its IUPAC name is 1-[2-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[2-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]cyclohexan-1-ol
PubChem CID130366543
Molecular FormulaC24H32N4O2
Molecular Weight408.55 g/mol
Exact Mass408.25
IUPAC Name1-[2-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]cyclohexan-1-ol
SMILESCC(c1ccc2c(c1)OCC2)N1CCN(c2ncc(C3(O)CCCCC3)cn2)CC1
InChIInChI=1S/C24H32N4O2/c1-18(20-6-5-19-7-14-30-22(19)15-20)27-10-12-28(13-11-27)23-25-16-21(17-26-23)24(29)8-3-2-4-9-24/h5-6,15-18,29H,2-4,7-14H2,1H3
InChIKeyGYMCRPAACRFAKY-UHFFFAOYSA-N
XLogP3.45
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]cyclohexan-1-ol?
The IUPAC name of 1-[2-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]cyclohexan-1-ol (CID 130366543) is 1-[2-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]cyclohexan-1-ol.
What is the SMILES notation for 1-[2-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]cyclohexan-1-ol?
The canonical SMILES for 1-[2-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]cyclohexan-1-ol is CC(c1ccc2c(c1)OCC2)N1CCN(c2ncc(C3(O)CCCCC3)cn2)CC1.
What is the InChIKey of 1-[2-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]cyclohexan-1-ol?
The InChIKey is GYMCRPAACRFAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O2/c1-18(20-6-5-19-7-14-30-22(19)15-20)27-10-12-28(13-11-27)23-25-16-21(17-26-23)24(29)8-3-2-4-9-24/h5-6,15-18,29H,2-4,7-14H2,1H3.
What are the key properties of 1-[2-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]cyclohexan-1-ol?
1-[2-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]cyclohexan-1-ol has a molecular weight of 408.55 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]cyclohexan-1-ol is sourced from PubChem (CID 130366543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).