1-[1-(3-methoxyphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]cyclohexan-1-ol

C24H34N4O2 — CID 21241514

IUPAC1-[1-(3-methoxyphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]cyclohexan-1-ol
SMILESCOc1cccc(C(CCN2CCN(c3ncccn3)CC2)C2(O)CCCCC2)c1
InChIInChI=1S/C24H34N4O2/c1-30-21-8-5-7-20(19-21)22(24(29)10-3-2-4-11-24)9-14-27-15-17-28(18-16-27)23-25-12-6-13-26-23/h5-8,12-13,19,22,29H,2-4,9-11,14-18H2,1H3
InChIKeyCFBPNLCBRUWJAY-UHFFFAOYSA-N
MW410.56 g/mol
LogP3.48
Rot. Bonds7

About 1-[1-(3-methoxyphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]cyclohexan-1-ol

1-[1-(3-methoxyphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]cyclohexan-1-ol (PubChem CID 21241514) has the molecular formula C24H34N4O2 and a molecular weight of 410.56 g/mol. Its IUPAC name is 1-[1-(3-methoxyphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[1-(3-methoxyphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]cyclohexan-1-ol
PubChem CID21241514
Molecular FormulaC24H34N4O2
Molecular Weight410.56 g/mol
Exact Mass410.27
IUPAC Name1-[1-(3-methoxyphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]cyclohexan-1-ol
SMILESCOc1cccc(C(CCN2CCN(c3ncccn3)CC2)C2(O)CCCCC2)c1
InChIInChI=1S/C24H34N4O2/c1-30-21-8-5-7-20(19-21)22(24(29)10-3-2-4-11-24)9-14-27-15-17-28(18-16-27)23-25-12-6-13-26-23/h5-8,12-13,19,22,29H,2-4,9-11,14-18H2,1H3
InChIKeyCFBPNLCBRUWJAY-UHFFFAOYSA-N
XLogP3.48
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-methoxyphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]cyclohexan-1-ol?
The IUPAC name of 1-[1-(3-methoxyphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]cyclohexan-1-ol (CID 21241514) is 1-[1-(3-methoxyphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[1-(3-methoxyphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]cyclohexan-1-ol?
The canonical SMILES for 1-[1-(3-methoxyphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]cyclohexan-1-ol is COc1cccc(C(CCN2CCN(c3ncccn3)CC2)C2(O)CCCCC2)c1.
What is the InChIKey of 1-[1-(3-methoxyphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]cyclohexan-1-ol?
The InChIKey is CFBPNLCBRUWJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O2/c1-30-21-8-5-7-20(19-21)22(24(29)10-3-2-4-11-24)9-14-27-15-17-28(18-16-27)23-25-12-6-13-26-23/h5-8,12-13,19,22,29H,2-4,9-11,14-18H2,1H3.
What are the key properties of 1-[1-(3-methoxyphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]cyclohexan-1-ol?
1-[1-(3-methoxyphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]cyclohexan-1-ol has a molecular weight of 410.56 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-methoxyphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]cyclohexan-1-ol is sourced from PubChem (CID 21241514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).