1-[2-[[2-fluoro-6-(4-methylpiperazin-1-yl)phenyl]methyl]phenyl]cyclopentan-1-ol

C23H29FN2O — CID 91087702

IUPAC1-[2-[[2-fluoro-6-(4-methylpiperazin-1-yl)phenyl]methyl]phenyl]cyclopentan-1-ol
SMILESCN1CCN(c2cccc(F)c2Cc2ccccc2C2(O)CCCC2)CC1
InChIInChI=1S/C23H29FN2O/c1-25-13-15-26(16-14-25)22-10-6-9-21(24)19(22)17-18-7-2-3-8-20(18)23(27)11-4-5-12-23/h2-3,6-10,27H,4-5,11-17H2,1H3
InChIKeyMQUHVHACEWILTK-UHFFFAOYSA-N
MW368.50 g/mol
LogP3.93
Rot. Bonds4

About 1-[2-[[2-fluoro-6-(4-methylpiperazin-1-yl)phenyl]methyl]phenyl]cyclopentan-1-ol

1-[2-[[2-fluoro-6-(4-methylpiperazin-1-yl)phenyl]methyl]phenyl]cyclopentan-1-ol (PubChem CID 91087702) has the molecular formula C23H29FN2O and a molecular weight of 368.50 g/mol. Its IUPAC name is 1-[2-[[2-fluoro-6-(4-methylpiperazin-1-yl)phenyl]methyl]phenyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[2-[[2-fluoro-6-(4-methylpiperazin-1-yl)phenyl]methyl]phenyl]cyclopentan-1-ol
PubChem CID91087702
Molecular FormulaC23H29FN2O
Molecular Weight368.50 g/mol
Exact Mass368.23
IUPAC Name1-[2-[[2-fluoro-6-(4-methylpiperazin-1-yl)phenyl]methyl]phenyl]cyclopentan-1-ol
SMILESCN1CCN(c2cccc(F)c2Cc2ccccc2C2(O)CCCC2)CC1
InChIInChI=1S/C23H29FN2O/c1-25-13-15-26(16-14-25)22-10-6-9-21(24)19(22)17-18-7-2-3-8-20(18)23(27)11-4-5-12-23/h2-3,6-10,27H,4-5,11-17H2,1H3
InChIKeyMQUHVHACEWILTK-UHFFFAOYSA-N
XLogP3.93
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[2-fluoro-6-(4-methylpiperazin-1-yl)phenyl]methyl]phenyl]cyclopentan-1-ol?
The IUPAC name of 1-[2-[[2-fluoro-6-(4-methylpiperazin-1-yl)phenyl]methyl]phenyl]cyclopentan-1-ol (CID 91087702) is 1-[2-[[2-fluoro-6-(4-methylpiperazin-1-yl)phenyl]methyl]phenyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[2-[[2-fluoro-6-(4-methylpiperazin-1-yl)phenyl]methyl]phenyl]cyclopentan-1-ol?
The canonical SMILES for 1-[2-[[2-fluoro-6-(4-methylpiperazin-1-yl)phenyl]methyl]phenyl]cyclopentan-1-ol is CN1CCN(c2cccc(F)c2Cc2ccccc2C2(O)CCCC2)CC1.
What is the InChIKey of 1-[2-[[2-fluoro-6-(4-methylpiperazin-1-yl)phenyl]methyl]phenyl]cyclopentan-1-ol?
The InChIKey is MQUHVHACEWILTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN2O/c1-25-13-15-26(16-14-25)22-10-6-9-21(24)19(22)17-18-7-2-3-8-20(18)23(27)11-4-5-12-23/h2-3,6-10,27H,4-5,11-17H2,1H3.
What are the key properties of 1-[2-[[2-fluoro-6-(4-methylpiperazin-1-yl)phenyl]methyl]phenyl]cyclopentan-1-ol?
1-[2-[[2-fluoro-6-(4-methylpiperazin-1-yl)phenyl]methyl]phenyl]cyclopentan-1-ol has a molecular weight of 368.50 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[2-fluoro-6-(4-methylpiperazin-1-yl)phenyl]methyl]phenyl]cyclopentan-1-ol is sourced from PubChem (CID 91087702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).