[(4R)-6-fluoro-4-methylcyclohexa-1,5-dien-1-yl]-(4-methylpiperazin-1-yl)methanol

C13H21FN2O — CID 144808718

IUPAC[(4R)-6-fluoro-4-methylcyclohexa-1,5-dien-1-yl]-(4-methylpiperazin-1-yl)methanol
SMILESC[C@H]1C=C(F)C(C(O)N2CCN(C)CC2)=CC1
InChIInChI=1S/C13H21FN2O/c1-10-3-4-11(12(14)9-10)13(17)16-7-5-15(2)6-8-16/h4,9-10,13,17H,3,5-8H2,1-2H3/t10-,13?/m1/s1
InChIKeyNPGFYTPIZNGJIT-VUUHIHSGSA-N
MW240.32 g/mol
LogP1.37
Rot. Bonds2

About [(4R)-6-fluoro-4-methylcyclohexa-1,5-dien-1-yl]-(4-methylpiperazin-1-yl)methanol

[(4R)-6-fluoro-4-methylcyclohexa-1,5-dien-1-yl]-(4-methylpiperazin-1-yl)methanol (PubChem CID 144808718) has the molecular formula C13H21FN2O and a molecular weight of 240.32 g/mol. Its IUPAC name is [(4R)-6-fluoro-4-methylcyclohexa-1,5-dien-1-yl]-(4-methylpiperazin-1-yl)methanol.

Molecular Properties

Compound Name[(4R)-6-fluoro-4-methylcyclohexa-1,5-dien-1-yl]-(4-methylpiperazin-1-yl)methanol
PubChem CID144808718
Molecular FormulaC13H21FN2O
Molecular Weight240.32 g/mol
Exact Mass240.16
IUPAC Name[(4R)-6-fluoro-4-methylcyclohexa-1,5-dien-1-yl]-(4-methylpiperazin-1-yl)methanol
SMILESC[C@H]1C=C(F)C(C(O)N2CCN(C)CC2)=CC1
InChIInChI=1S/C13H21FN2O/c1-10-3-4-11(12(14)9-10)13(17)16-7-5-15(2)6-8-16/h4,9-10,13,17H,3,5-8H2,1-2H3/t10-,13?/m1/s1
InChIKeyNPGFYTPIZNGJIT-VUUHIHSGSA-N
XLogP1.37
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(4R)-6-fluoro-4-methylcyclohexa-1,5-dien-1-yl]-(4-methylpiperazin-1-yl)methanol?
The IUPAC name of [(4R)-6-fluoro-4-methylcyclohexa-1,5-dien-1-yl]-(4-methylpiperazin-1-yl)methanol (CID 144808718) is [(4R)-6-fluoro-4-methylcyclohexa-1,5-dien-1-yl]-(4-methylpiperazin-1-yl)methanol.
What is the SMILES notation for [(4R)-6-fluoro-4-methylcyclohexa-1,5-dien-1-yl]-(4-methylpiperazin-1-yl)methanol?
The canonical SMILES for [(4R)-6-fluoro-4-methylcyclohexa-1,5-dien-1-yl]-(4-methylpiperazin-1-yl)methanol is C[C@H]1C=C(F)C(C(O)N2CCN(C)CC2)=CC1.
What is the InChIKey of [(4R)-6-fluoro-4-methylcyclohexa-1,5-dien-1-yl]-(4-methylpiperazin-1-yl)methanol?
The InChIKey is NPGFYTPIZNGJIT-VUUHIHSGSA-N. The full InChI is InChI=1S/C13H21FN2O/c1-10-3-4-11(12(14)9-10)13(17)16-7-5-15(2)6-8-16/h4,9-10,13,17H,3,5-8H2,1-2H3/t10-,13?/m1/s1.
What are the key properties of [(4R)-6-fluoro-4-methylcyclohexa-1,5-dien-1-yl]-(4-methylpiperazin-1-yl)methanol?
[(4R)-6-fluoro-4-methylcyclohexa-1,5-dien-1-yl]-(4-methylpiperazin-1-yl)methanol has a molecular weight of 240.32 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-6-fluoro-4-methylcyclohexa-1,5-dien-1-yl]-(4-methylpiperazin-1-yl)methanol is sourced from PubChem (CID 144808718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).