1-[3-[4-(6-chloropyrazin-2-yl)piperazin-1-yl]-1-(4-methoxyphenyl)propyl]cyclohexan-1-ol

C24H33ClN4O2 — CID 21241495

IUPAC1-[3-[4-(6-chloropyrazin-2-yl)piperazin-1-yl]-1-(4-methoxyphenyl)propyl]cyclohexan-1-ol
SMILESCOc1ccc(C(CCN2CCN(c3cncc(Cl)n3)CC2)C2(O)CCCCC2)cc1
InChIInChI=1S/C24H33ClN4O2/c1-31-20-7-5-19(6-8-20)21(24(30)10-3-2-4-11-24)9-12-28-13-15-29(16-14-28)23-18-26-17-22(25)27-23/h5-8,17-18,21,30H,2-4,9-16H2,1H3
InChIKeyHKFGAJOELNWSBE-UHFFFAOYSA-N
MW445.01 g/mol
LogP4.13
Rot. Bonds7

About 1-[3-[4-(6-chloropyrazin-2-yl)piperazin-1-yl]-1-(4-methoxyphenyl)propyl]cyclohexan-1-ol

1-[3-[4-(6-chloropyrazin-2-yl)piperazin-1-yl]-1-(4-methoxyphenyl)propyl]cyclohexan-1-ol (PubChem CID 21241495) has the molecular formula C24H33ClN4O2 and a molecular weight of 445.01 g/mol. Its IUPAC name is 1-[3-[4-(6-chloropyrazin-2-yl)piperazin-1-yl]-1-(4-methoxyphenyl)propyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[3-[4-(6-chloropyrazin-2-yl)piperazin-1-yl]-1-(4-methoxyphenyl)propyl]cyclohexan-1-ol
PubChem CID21241495
Molecular FormulaC24H33ClN4O2
Molecular Weight445.01 g/mol
Exact Mass444.23
IUPAC Name1-[3-[4-(6-chloropyrazin-2-yl)piperazin-1-yl]-1-(4-methoxyphenyl)propyl]cyclohexan-1-ol
SMILESCOc1ccc(C(CCN2CCN(c3cncc(Cl)n3)CC2)C2(O)CCCCC2)cc1
InChIInChI=1S/C24H33ClN4O2/c1-31-20-7-5-19(6-8-20)21(24(30)10-3-2-4-11-24)9-12-28-13-15-29(16-14-28)23-18-26-17-22(25)27-23/h5-8,17-18,21,30H,2-4,9-16H2,1H3
InChIKeyHKFGAJOELNWSBE-UHFFFAOYSA-N
XLogP4.13
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.01
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(6-chloropyrazin-2-yl)piperazin-1-yl]-1-(4-methoxyphenyl)propyl]cyclohexan-1-ol?
The IUPAC name of 1-[3-[4-(6-chloropyrazin-2-yl)piperazin-1-yl]-1-(4-methoxyphenyl)propyl]cyclohexan-1-ol (CID 21241495) is 1-[3-[4-(6-chloropyrazin-2-yl)piperazin-1-yl]-1-(4-methoxyphenyl)propyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[3-[4-(6-chloropyrazin-2-yl)piperazin-1-yl]-1-(4-methoxyphenyl)propyl]cyclohexan-1-ol?
The canonical SMILES for 1-[3-[4-(6-chloropyrazin-2-yl)piperazin-1-yl]-1-(4-methoxyphenyl)propyl]cyclohexan-1-ol is COc1ccc(C(CCN2CCN(c3cncc(Cl)n3)CC2)C2(O)CCCCC2)cc1.
What is the InChIKey of 1-[3-[4-(6-chloropyrazin-2-yl)piperazin-1-yl]-1-(4-methoxyphenyl)propyl]cyclohexan-1-ol?
The InChIKey is HKFGAJOELNWSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33ClN4O2/c1-31-20-7-5-19(6-8-20)21(24(30)10-3-2-4-11-24)9-12-28-13-15-29(16-14-28)23-18-26-17-22(25)27-23/h5-8,17-18,21,30H,2-4,9-16H2,1H3.
What are the key properties of 1-[3-[4-(6-chloropyrazin-2-yl)piperazin-1-yl]-1-(4-methoxyphenyl)propyl]cyclohexan-1-ol?
1-[3-[4-(6-chloropyrazin-2-yl)piperazin-1-yl]-1-(4-methoxyphenyl)propyl]cyclohexan-1-ol has a molecular weight of 445.01 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(6-chloropyrazin-2-yl)piperazin-1-yl]-1-(4-methoxyphenyl)propyl]cyclohexan-1-ol is sourced from PubChem (CID 21241495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).